Pyrimido(4,5-b)quinoline-10(2H)-acetamide, N-(5-(((5-((butylamino)carbonyl)-1-methyl-1H-pyrrol-3-yl)amino)carbonyl)-1-methyl-1H-pyrrol-3-yl)-3,4-dihydro-3-methyl-6-nitro-2,4-dioxo-
TL;DR: Pyrimido(4,5-b)quinoline-10(2H)-acetamide, N-(5-(((5-((butylamino)carbonyl)-1-methyl-1H-pyrrol-3-yl)amino)carbonyl)-1-methyl-1H-pyrrol-3-yl)-3,4-dihydro-3-methyl-6-nitro-2,4-dioxo- (CAS 207128-61-8) is a chemical compound with molecular formula C30H31N9O7 and molecular weight 629.23 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]-1-methyl-4-[[2-(3-methyl-6-nitro-2,4-dioxopyrimido[4,5-b]quinolin-10-yl)acetyl]amino]pyrrole-2-carboxamide
Also Known As: Pyrimido(4,5-b)quinoline-10(2H)-acetamide, N-(5-(((5-((butylamino)carbonyl)-1-methyl-1H-pyrrol-3-yl)amino)carbonyl)-1-methyl-1H-pyrrol-3-yl)-3,4-dihydro-3-methyl-6-nitro-2,4-dioxo-, N-[5-(butylcarbamoyl)-1-methylpyrrol-3-yl]-1-methyl-4-[[2-(3-methyl-6-nitro-2,4-dioxopyrimido[4,5-b]quinolin-10-yl)acetyl]amino]pyrrole-2-carboxamide, N-Butyl-1-methyl-4-{1-methyl-4-[2-(3-methyl-6-nitro-2,4-dioxo-3,4-dihydropyrimido[4,5-b]quinolin-10(2H)-yl)acetamido]-1H-pyrrole-2-carboxamido}-1H-pyrrole-2-carboxamide
| Molecular Formula | C30H31N9O7 |
|---|---|
| Molecular Weight | 629.23 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 196.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 629.2346 |
| Heavy Atoms | 46 |
| Complexity | 1330.0 |
Chemical Identifiers
| CAS Number | 207128-61-8 |
|---|---|
| SMILES | CCCCNC(=O)C1=CC(=CN1C)NC(=O)C2=CC(=CN2C)NC(=O)CN3C4=C(C=C5C3=NC(=O)N(C5=O)C)C(=CC=C4)[N+](=O)[O-] |
| InChIKey | VABVKDQZQMBFGR-UHFFFAOYSA-N |
Product Overview
Pyrimido(4,5-b)quinoline-10(2H)-acetamide, N-(5-(((5-((butylamino)carbonyl)-1-methyl-1H-pyrrol-3-yl)amino)carbonyl)-1-methyl-1H-pyrrol-3-yl)-3,4-dihydro-3-methyl-6-nitro-2,4-dioxo- (CAS 207128-61-8), with molecular formula C30H31N9O7 and molecular weight 629.23 g/mol. IUPAC: N-[5-(butylcarbamoyl)-1-methylpyrrol-3-yl]-1-methyl-4-[[2-(3-methyl-6-nitro-2,4-dioxopyrimido[4,5-b]quinolin-10-yl)acetyl]amino]pyrrole-2-carboxamide.
Chemical Property Profile of Pyrimido(4,5-b)quinoline-10(2H)-acetamide, N-(5-(((5-((butylamino)carbonyl)-1-methyl-1H-pyrrol-3-yl)amino)carbonyl)-1-methyl-1H-pyrrol-3-yl)-3,4-dihydro-3-methyl-6-nitro-2,4-dioxo-
Property Insights of Pyrimido(4,5-b)quinoline-10(2H)-acetamide, N-(5-(((5-((butylamino)carbonyl)-1-methyl-1H-pyrrol-3-yl)amino)carbonyl)-1-methyl-1H-pyrrol-3-yl)-3,4-dihydro-3-methyl-6-nitro-2,4-dioxo-
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pyrimido(4,5-b)quinoline-10(2H)-acetamide, N-(5-(((5-((butylamino)carbonyl)-1-methyl-1H-pyrrol-3-yl)amino)carbonyl)-1-methyl-1H-pyrrol-3-yl)-3,4-dihydro-3-methyl-6-nitro-2,4-dioxo-. The TPSA of 196.0 Ų indicates high polarity, suggesting Pyrimido(4,5-b)quinoline-10(2H)-acetamide, N-(5-(((5-((butylamino)carbonyl)-1-methyl-1H-pyrrol-3-yl)amino)carbonyl)-1-methyl-1H-pyrrol-3-yl)-3,4-dihydro-3-methyl-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-10(2H)-acetamide, N-(5-(((5-((butylamino)carbonyl)-1-methyl-1H-pyrrol-3-yl)amino)carbonyl)-1-methyl-1H-pyrrol-3-yl)-3,4-dihydro-3-methyl-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-10(2H)-acetamide, N-(5-(((5-((butylamino)carbonyl)-1-methyl-1H-pyrrol-3-yl)amino)carbonyl)-1-methyl-1H-pyrrol-3-yl)-3,4-dihydro-3-methyl-6-nitro-2,4-dioxo-?
The CAS number of Pyrimido(4,5-b)quinoline-10(2H)-acetamide, N-(5-(((5-((butylamino)carbonyl)-1-methyl-1H-pyrrol-3-yl)amino)carbonyl)-1-methyl-1H-pyrrol-3-yl)-3,4-dihydro-3-methyl-6-nitro-2,4-dioxo- is 207128-61-8.
What is the molecular formula of Pyrimido(4,5-b)quinoline-10(2H)-acetamide, N-(5-(((5-((butylamino)carbonyl)-1-methyl-1H-pyrrol-3-yl)amino)carbonyl)-1-methyl-1H-pyrrol-3-yl)-3,4-dihydro-3-methyl-6-nitro-2,4-dioxo-?
The molecular formula of Pyrimido(4,5-b)quinoline-10(2H)-acetamide, N-(5-(((5-((butylamino)carbonyl)-1-methyl-1H-pyrrol-3-yl)amino)carbonyl)-1-methyl-1H-pyrrol-3-yl)-3,4-dihydro-3-methyl-6-nitro-2,4-dioxo- is C30H31N9O7.
What is the molecular weight of Pyrimido(4,5-b)quinoline-10(2H)-acetamide, N-(5-(((5-((butylamino)carbonyl)-1-methyl-1H-pyrrol-3-yl)amino)carbonyl)-1-methyl-1H-pyrrol-3-yl)-3,4-dihydro-3-methyl-6-nitro-2,4-dioxo-?
The molecular weight of Pyrimido(4,5-b)quinoline-10(2H)-acetamide, N-(5-(((5-((butylamino)carbonyl)-1-methyl-1H-pyrrol-3-yl)amino)carbonyl)-1-methyl-1H-pyrrol-3-yl)-3,4-dihydro-3-methyl-6-nitro-2,4-dioxo- is 629.23 g/mol.
Where can I buy Pyrimido(4,5-b)quinoline-10(2H)-acetamide, N-(5-(((5-((butylamino)carbonyl)-1-methyl-1H-pyrrol-3-yl)amino)carbonyl)-1-methyl-1H-pyrrol-3-yl)-3,4-dihydro-3-methyl-6-nitro-2,4-dioxo-?
You can request a quote for Pyrimido(4,5-b)quinoline-10(2H)-acetamide, N-(5-(((5-((butylamino)carbonyl)-1-methyl-1H-pyrrol-3-yl)amino)carbonyl)-1-methyl-1H-pyrrol-3-yl)-3,4-dihydro-3-methyl-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-10(2H)-acetamide, N-(5-(((5-((butylamino)carbonyl)-1-methyl-1H-pyrrol-3-yl)amino)carbonyl)-1-methyl-1H-pyrrol-3-yl)-3,4-dihydro-3-methyl-6-nitro-2,4-dioxo-?
Yes, KEHONG BIO provides custom synthesis services for Pyrimido(4,5-b)quinoline-10(2H)-acetamide, N-(5-(((5-((butylamino)carbonyl)-1-methyl-1H-pyrrol-3-yl)amino)carbonyl)-1-methyl-1H-pyrrol-3-yl)-3,4-dihydro-3-methyl-6-nitro-2,4-dioxo- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.