2-amino-1-(3-nitrophenyl)-5-oxo-4-(pyridin-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
TL;DR: 2-amino-1-(3-nitrophenyl)-5-oxo-4-(pyridin-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile (CAS 296771-35-2) is a chemical compound with molecular formula C21H17N5O3 and molecular weight 387.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-1-(3-nitrophenyl)-5-oxo-4-pyridin-3-yl-4,6,7,8-tetrahydroquinoline-3-carbonitrile
Also Known As: 2-amino-1-(3-nitrophenyl)-5-oxo-4-(pyridin-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile, A1179/0054642, 2-amino-1-{3-nitrophenyl}-5-oxo-4-(3-pyridinyl)-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile, 2-amino-1-(3-nitrophenyl)-5-oxo-4-pyridin-3-yl-4,6,7,8-tetrahydroquinoline-3-carbonitrile, 2-AMINO-1-(3-NITROPHENYL)-5-OXO-4-(3-PYRIDINYL)-1,4,5,6,7,8-HEXAHYDRO-3-QUINOLINECARBONITRILE
| Molecular Formula | C21H17N5O3 |
|---|---|
| Molecular Weight | 387.13 g/mol |
| LogP | 3.29458 |
| Topological Polar Surface Area | 126.15 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 387.13315 |
| Heavy Atoms | 29 |
| Complexity | 1114.6365 |
Chemical Identifiers
| CAS Number | 296771-35-2 |
|---|---|
| SMILES | C1CC2=C(C(C(=C(N2C3=CC(=CC=C3)[N+](=O)[O-])N)C#N)C4=CN=CC=C4)C(=O)C1 |
Product Overview
2-amino-1-(3-nitrophenyl)-5-oxo-4-(pyridin-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile (CAS 296771-35-2), with molecular formula C21H17N5O3 and molecular weight 387.13 g/mol. IUPAC: 2-amino-1-(3-nitrophenyl)-5-oxo-4-pyridin-3-yl-4,6,7,8-tetrahydroquinoline-3-carbonitrile.
Chemical Property Profile of 2-amino-1-(3-nitrophenyl)-5-oxo-4-(pyridin-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Property Insights of 2-amino-1-(3-nitrophenyl)-5-oxo-4-(pyridin-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
The XLogP value of 3.29458 indicates that 2-amino-1-(3-nitrophenyl)-5-oxo-4-(pyridin-3-yl)-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 126.15 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-amino-1-(3-nitrophenyl)-5-oxo-4-(pyridin-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile. Following Lipinski's Rule of Five, 2-amino-1-(3-nitrophenyl)-5-oxo-4-(pyridin-3-yl)-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-(3-nitrophenyl)-5-oxo-4-(pyridin-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile?
The CAS number of 2-amino-1-(3-nitrophenyl)-5-oxo-4-(pyridin-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile is 296771-35-2.
What is the molecular formula of 2-amino-1-(3-nitrophenyl)-5-oxo-4-(pyridin-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile?
The molecular formula of 2-amino-1-(3-nitrophenyl)-5-oxo-4-(pyridin-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile is C21H17N5O3.
What is the molecular weight of 2-amino-1-(3-nitrophenyl)-5-oxo-4-(pyridin-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile?
The molecular weight of 2-amino-1-(3-nitrophenyl)-5-oxo-4-(pyridin-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile is 387.13 g/mol.
Where can I buy 2-amino-1-(3-nitrophenyl)-5-oxo-4-(pyridin-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile?
You can request a quote for 2-amino-1-(3-nitrophenyl)-5-oxo-4-(pyridin-3-yl)-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-(3-nitrophenyl)-5-oxo-4-(pyridin-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-amino-1-(3-nitrophenyl)-5-oxo-4-(pyridin-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.