2-amino-1-{2-nitrophenyl}-4-(4-methoxyphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
TL;DR: 2-amino-1-{2-nitrophenyl}-4-(4-methoxyphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile (CAS 311797-80-5) is a chemical compound with molecular formula C23H20N4O4 and molecular weight 416.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-4-(4-methoxyphenyl)-1-(2-nitrophenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile
Also Known As: 2-amino-1-{2-nitrophenyl}-4-(4-methoxyphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile, A1703/0072539, 2-amino-4-(4-methoxyphenyl)-1-(2-nitrophenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile, 2-AMINO-4-(4-METHOXYPHENYL)-1-(2-NITROPHENYL)-5-OXO-1,4,5,6,7,8-HEXAHYDRO-3-QUINOLINECARBONITRILE, 2-amino-4-(4-methoxyphenyl)-1-(2-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
| Molecular Formula | C23H20N4O4 |
|---|---|
| Molecular Weight | 416.15 g/mol |
| LogP | 3.90818 |
| Topological Polar Surface Area | 122.49 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 416.14847 |
| Heavy Atoms | 31 |
| Complexity | 1174.8077 |
Chemical Identifiers
| CAS Number | 311797-80-5 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2C(=C(N(C3=C2C(=O)CCC3)C4=CC=CC=C4[N+](=O)[O-])N)C#N |
Product Overview
2-amino-1-{2-nitrophenyl}-4-(4-methoxyphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile (CAS 311797-80-5), with molecular formula C23H20N4O4 and molecular weight 416.15 g/mol. IUPAC: 2-amino-4-(4-methoxyphenyl)-1-(2-nitrophenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile.
Chemical Property Profile of 2-amino-1-{2-nitrophenyl}-4-(4-methoxyphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Property Insights of 2-amino-1-{2-nitrophenyl}-4-(4-methoxyphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
The XLogP value of 3.90818 indicates that 2-amino-1-{2-nitrophenyl}-4-(4-methoxyphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 122.49 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-amino-1-{2-nitrophenyl}-4-(4-methoxyphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile. Following Lipinski's Rule of Five, 2-amino-1-{2-nitrophenyl}-4-(4-methoxyphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-amino-1-{2-nitrophenyl}-4-(4-methoxyphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile?
The CAS number of 2-amino-1-{2-nitrophenyl}-4-(4-methoxyphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile is 311797-80-5.
What is the molecular formula of 2-amino-1-{2-nitrophenyl}-4-(4-methoxyphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile?
The molecular formula of 2-amino-1-{2-nitrophenyl}-4-(4-methoxyphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile is C23H20N4O4.
What is the molecular weight of 2-amino-1-{2-nitrophenyl}-4-(4-methoxyphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile?
The molecular weight of 2-amino-1-{2-nitrophenyl}-4-(4-methoxyphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile is 416.15 g/mol.
Where can I buy 2-amino-1-{2-nitrophenyl}-4-(4-methoxyphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile?
You can request a quote for 2-amino-1-{2-nitrophenyl}-4-(4-methoxyphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-amino-1-{2-nitrophenyl}-4-(4-methoxyphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-amino-1-{2-nitrophenyl}-4-(4-methoxyphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.