Pyrimido(4,5-b)quinoline-3(2H)-acetamide, 10-butyl-N-(5-(((5-((butylamino)carbonyl)-1-methyl-1H-pyrrol-3-yl)amino)carbonyl)-1-methyl-1H-pyrrol-3-yl)-4,10-dihydro-6-nitro-2,4-dioxo-
TL;DR: Pyrimido(4,5-b)quinoline-3(2H)-acetamide, 10-butyl-N-(5-(((5-((butylamino)carbonyl)-1-methyl-1H-pyrrol-3-yl)amino)carbonyl)-1-methyl-1H-pyrrol-3-yl)-4,10-dihydro-6-nitro-2,4-dioxo- (CAS 207128-57-2) is a chemical compound with molecular formula C33H37N9O7 and molecular weight 671.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[5-(butylcarbamoyl)-1-methylpyrrol-3-yl]-4-[[2-(10-butyl-6-nitro-2,4-dioxopyrimido[4,5-b]quinolin-3-yl)acetyl]amino]-1-methylpyrrole-2-carboxamide
Also Known As: Pyrimido(4,5-b)quinoline-3(2H)-acetamide, 10-butyl-N-(5-(((5-((butylamino)carbonyl)-1-methyl-1H-pyrrol-3-yl)amino)carbonyl)-1-methyl-1H-pyrrol-3-yl)-4,10-dihydro-6-nitro-2,4-dioxo-, N-[5-(Butylcarbamoyl)-1-methyl-1H-pyrrol-3-yl]-4-[2-(10-butyl-6-nitro-2,4-dioxo-4,10-dihydropyrimido[4,5-b]quinolin-3(2H)-yl)acetamido]-1-methyl-1H-pyrrole-2-carboxamide, N-[5-(butylcarbamoyl)-1-methylpyrrol-3-yl]-4-[[2-(10-butyl-6-nitro-2,4-dioxopyrimido[4,5-b]quinolin-3-yl)acetyl]amino]-1-methylpyrrole-2-carboxamide
| Molecular Formula | C33H37N9O7 |
|---|---|
| Molecular Weight | 671.28 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 196.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 12 |
| Exact Mass | 671.2816 |
| Heavy Atoms | 49 |
| Complexity | 1380.0 |
Chemical Identifiers
| CAS Number | 207128-57-2 |
|---|---|
| SMILES | CCCCNC(=O)C1=CC(=CN1C)NC(=O)C2=CC(=CN2C)NC(=O)CN3C(=O)C4=CC5=C(C=CC=C5[N+](=O)[O-])N(C4=NC3=O)CCCC |
| InChIKey | BIBKBFILCFIEFJ-UHFFFAOYSA-N |
Product Overview
Pyrimido(4,5-b)quinoline-3(2H)-acetamide, 10-butyl-N-(5-(((5-((butylamino)carbonyl)-1-methyl-1H-pyrrol-3-yl)amino)carbonyl)-1-methyl-1H-pyrrol-3-yl)-4,10-dihydro-6-nitro-2,4-dioxo- (CAS 207128-57-2), with molecular formula C33H37N9O7 and molecular weight 671.28 g/mol. IUPAC: N-[5-(butylcarbamoyl)-1-methylpyrrol-3-yl]-4-[[2-(10-butyl-6-nitro-2,4-dioxopyrimido[4,5-b]quinolin-3-yl)acetyl]amino]-1-methylpyrrole-2-carboxamide.
Chemical Property Profile of Pyrimido(4,5-b)quinoline-3(2H)-acetamide, 10-butyl-N-(5-(((5-((butylamino)carbonyl)-1-methyl-1H-pyrrol-3-yl)amino)carbonyl)-1-methyl-1H-pyrrol-3-yl)-4,10-dihydro-6-nitro-2,4-dioxo-
Property Insights of Pyrimido(4,5-b)quinoline-3(2H)-acetamide, 10-butyl-N-(5-(((5-((butylamino)carbonyl)-1-methyl-1H-pyrrol-3-yl)amino)carbonyl)-1-methyl-1H-pyrrol-3-yl)-4,10-dihydro-6-nitro-2,4-dioxo-
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pyrimido(4,5-b)quinoline-3(2H)-acetamide, 10-butyl-N-(5-(((5-((butylamino)carbonyl)-1-methyl-1H-pyrrol-3-yl)amino)carbonyl)-1-methyl-1H-pyrrol-3-yl)-4,10-dihydro-6-nitro-2,4-dioxo-. The TPSA of 196.0 Ų indicates high polarity, suggesting Pyrimido(4,5-b)quinoline-3(2H)-acetamide, 10-butyl-N-(5-(((5-((butylamino)carbonyl)-1-methyl-1H-pyrrol-3-yl)amino)carbonyl)-1-methyl-1H-pyrrol-3-yl)-4,10-dihydro-6-nitro-2,4-dioxo- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Pyrimido(4,5-b)quinoline-3(2H)-acetamide, 10-butyl-N-(5-(((5-((butylamino)carbonyl)-1-methyl-1H-pyrrol-3-yl)amino)carbonyl)-1-methyl-1H-pyrrol-3-yl)-4,10-dihydro-6-nitro-2,4-dioxo- has 3 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Pyrimido(4,5-b)quinoline-3(2H)-acetamide, 10-butyl-N-(5-(((5-((butylamino)carbonyl)-1-methyl-1H-pyrrol-3-yl)amino)carbonyl)-1-methyl-1H-pyrrol-3-yl)-4,10-dihydro-6-nitro-2,4-dioxo-?
The CAS number of Pyrimido(4,5-b)quinoline-3(2H)-acetamide, 10-butyl-N-(5-(((5-((butylamino)carbonyl)-1-methyl-1H-pyrrol-3-yl)amino)carbonyl)-1-methyl-1H-pyrrol-3-yl)-4,10-dihydro-6-nitro-2,4-dioxo- is 207128-57-2.
What is the molecular formula of Pyrimido(4,5-b)quinoline-3(2H)-acetamide, 10-butyl-N-(5-(((5-((butylamino)carbonyl)-1-methyl-1H-pyrrol-3-yl)amino)carbonyl)-1-methyl-1H-pyrrol-3-yl)-4,10-dihydro-6-nitro-2,4-dioxo-?
The molecular formula of Pyrimido(4,5-b)quinoline-3(2H)-acetamide, 10-butyl-N-(5-(((5-((butylamino)carbonyl)-1-methyl-1H-pyrrol-3-yl)amino)carbonyl)-1-methyl-1H-pyrrol-3-yl)-4,10-dihydro-6-nitro-2,4-dioxo- is C33H37N9O7.
What is the molecular weight of Pyrimido(4,5-b)quinoline-3(2H)-acetamide, 10-butyl-N-(5-(((5-((butylamino)carbonyl)-1-methyl-1H-pyrrol-3-yl)amino)carbonyl)-1-methyl-1H-pyrrol-3-yl)-4,10-dihydro-6-nitro-2,4-dioxo-?
The molecular weight of Pyrimido(4,5-b)quinoline-3(2H)-acetamide, 10-butyl-N-(5-(((5-((butylamino)carbonyl)-1-methyl-1H-pyrrol-3-yl)amino)carbonyl)-1-methyl-1H-pyrrol-3-yl)-4,10-dihydro-6-nitro-2,4-dioxo- is 671.28 g/mol.
Where can I buy Pyrimido(4,5-b)quinoline-3(2H)-acetamide, 10-butyl-N-(5-(((5-((butylamino)carbonyl)-1-methyl-1H-pyrrol-3-yl)amino)carbonyl)-1-methyl-1H-pyrrol-3-yl)-4,10-dihydro-6-nitro-2,4-dioxo-?
You can request a quote for Pyrimido(4,5-b)quinoline-3(2H)-acetamide, 10-butyl-N-(5-(((5-((butylamino)carbonyl)-1-methyl-1H-pyrrol-3-yl)amino)carbonyl)-1-methyl-1H-pyrrol-3-yl)-4,10-dihydro-6-nitro-2,4-dioxo- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pyrimido(4,5-b)quinoline-3(2H)-acetamide, 10-butyl-N-(5-(((5-((butylamino)carbonyl)-1-methyl-1H-pyrrol-3-yl)amino)carbonyl)-1-methyl-1H-pyrrol-3-yl)-4,10-dihydro-6-nitro-2,4-dioxo-?
Yes, KEHONG BIO provides custom synthesis services for Pyrimido(4,5-b)quinoline-3(2H)-acetamide, 10-butyl-N-(5-(((5-((butylamino)carbonyl)-1-methyl-1H-pyrrol-3-yl)amino)carbonyl)-1-methyl-1H-pyrrol-3-yl)-4,10-dihydro-6-nitro-2,4-dioxo- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.