2-(2-chlorophenyl)-N-(3-nitrophenyl)quinoline-4-carboxamide

C22H14ClN3O3 — CID 1220548

IUPAC2-(2-chlorophenyl)-N-(3-nitrophenyl)quinoline-4-carboxamide
SMILESO=C(Nc1cccc([N+](=O)[O-])c1)c1cc(-c2ccccc2Cl)nc2ccccc12
InChIInChI=1S/C22H14ClN3O3/c23-19-10-3-1-9-17(19)21-13-18(16-8-2-4-11-20(16)25-21)22(27)24-14-6-5-7-15(12-14)26(28)29/h1-13H,(H,24,27)
InChIKeyYMFKFBDWQMOPCE-UHFFFAOYSA-N
MW403.83 g/mol
LogP5.72
Rot. Bonds4

About 2-(2-chlorophenyl)-N-(3-nitrophenyl)quinoline-4-carboxamide

2-(2-chlorophenyl)-N-(3-nitrophenyl)quinoline-4-carboxamide (PubChem CID 1220548) has the molecular formula C22H14ClN3O3 and a molecular weight of 403.83 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-(3-nitrophenyl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N-(3-nitrophenyl)quinoline-4-carboxamide
PubChem CID1220548
Molecular FormulaC22H14ClN3O3
Molecular Weight403.83 g/mol
Exact Mass403.07
IUPAC Name2-(2-chlorophenyl)-N-(3-nitrophenyl)quinoline-4-carboxamide
SMILESO=C(Nc1cccc([N+](=O)[O-])c1)c1cc(-c2ccccc2Cl)nc2ccccc12
InChIInChI=1S/C22H14ClN3O3/c23-19-10-3-1-9-17(19)21-13-18(16-8-2-4-11-20(16)25-21)22(27)24-14-6-5-7-15(12-14)26(28)29/h1-13H,(H,24,27)
InChIKeyYMFKFBDWQMOPCE-UHFFFAOYSA-N
XLogP5.72
TPSA85.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.83
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-(2-chlorophenyl)-N-(3-nitrophenyl)quinoline-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(5-chlorothiophen-2-yl)-N-(3-nitrophenyl)quinoline-4-carboxamide
CID 1023167
N-(3-nitrophenyl)-2-(2-propan-2-yloxyphenyl)quinoline-4-carboxamide
CID 1003099
2-(4-bromophenyl)-N-(3-nitrophenyl)quinoline-4-carboxamide
CID 5047594
1-[[2-(2-chlorophenyl)quinoline-4-carbonyl]amino]-3-(4-nitrophenyl)thiourea
CID 171350748
2-cyclopropyl-N-(3-nitrophenyl)quinoline-4-carboxamide
CID 9040689
6-methyl-N-(3-nitrophenyl)-2-phenylquinoline-4-carboxamide
CID 1122087
2-(2-chlorophenyl)-N-(2,6-dimethylphenyl)quinoline-4-carboxamide
CID 5128996
2-(2-chlorophenyl)-N-[2-[[2-(2-chlorophenyl)quinoline-4-carbonyl]amino]ethyl]quinoline-4-carboxamide
CID 4581581
2-(2-methylphenyl)-N-[3-[[2-(2-methylphenyl)quinoline-4-carbonyl]amino]phenyl]quinoline-4-carboxamide
CID 3276867
N-(6-carbamoyl-2-pyridinyl)-2-(2-chlorophenyl)quinoline-4-carboxamide
CID 166212360
2-(2-chlorophenyl)-N-[8-[[2-(2-chlorophenyl)quinoline-4-carbonyl]amino]octyl]quinoline-4-carboxamide
CID 5201132
2-(2,4-dichlorophenyl)-N-(6-nitro-1,3-benzothiazol-2-yl)quinoline-4-carboxamide
CID 5176488

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-(3-nitrophenyl)quinoline-4-carboxamide?
The IUPAC name of 2-(2-chlorophenyl)-N-(3-nitrophenyl)quinoline-4-carboxamide (CID 1220548) is 2-(2-chlorophenyl)-N-(3-nitrophenyl)quinoline-4-carboxamide.
What is the SMILES notation for 2-(2-chlorophenyl)-N-(3-nitrophenyl)quinoline-4-carboxamide?
The canonical SMILES for 2-(2-chlorophenyl)-N-(3-nitrophenyl)quinoline-4-carboxamide is O=C(Nc1cccc([N+](=O)[O-])c1)c1cc(-c2ccccc2Cl)nc2ccccc12.
What is the InChIKey of 2-(2-chlorophenyl)-N-(3-nitrophenyl)quinoline-4-carboxamide?
The InChIKey is YMFKFBDWQMOPCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14ClN3O3/c23-19-10-3-1-9-17(19)21-13-18(16-8-2-4-11-20(16)25-21)22(27)24-14-6-5-7-15(12-14)26(28)29/h1-13H,(H,24,27).
What are the key properties of 2-(2-chlorophenyl)-N-(3-nitrophenyl)quinoline-4-carboxamide?
2-(2-chlorophenyl)-N-(3-nitrophenyl)quinoline-4-carboxamide has a molecular weight of 403.83 g/mol, XLogP of 5.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-N-(3-nitrophenyl)quinoline-4-carboxamide is sourced from PubChem (CID 1220548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).