2-(2,4-dichlorophenyl)-N-(2-nitrophenyl)quinoline-4-carboxamide

C22H13Cl2N3O3 — CID 3565307

IUPAC2-(2,4-dichlorophenyl)-N-(2-nitrophenyl)quinoline-4-carboxamide
SMILESO=C(Nc1ccccc1[N+](=O)[O-])c1cc(-c2ccc(Cl)cc2Cl)nc2ccccc12
InChIInChI=1S/C22H13Cl2N3O3/c23-13-9-10-15(17(24)11-13)20-12-16(14-5-1-2-6-18(14)25-20)22(28)26-19-7-3-4-8-21(19)27(29)30/h1-12H,(H,26,28)
InChIKeyAFJJDPGDUMKWLZ-UHFFFAOYSA-N
MW438.27 g/mol
LogP6.37
Rot. Bonds4

About 2-(2,4-dichlorophenyl)-N-(2-nitrophenyl)quinoline-4-carboxamide

2-(2,4-dichlorophenyl)-N-(2-nitrophenyl)quinoline-4-carboxamide (PubChem CID 3565307) has the molecular formula C22H13Cl2N3O3 and a molecular weight of 438.27 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-N-(2-nitrophenyl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-N-(2-nitrophenyl)quinoline-4-carboxamide
PubChem CID3565307
Molecular FormulaC22H13Cl2N3O3
Molecular Weight438.27 g/mol
Exact Mass437.03
IUPAC Name2-(2,4-dichlorophenyl)-N-(2-nitrophenyl)quinoline-4-carboxamide
SMILESO=C(Nc1ccccc1[N+](=O)[O-])c1cc(-c2ccc(Cl)cc2Cl)nc2ccccc12
InChIInChI=1S/C22H13Cl2N3O3/c23-13-9-10-15(17(24)11-13)20-12-16(14-5-1-2-6-18(14)25-20)22(28)26-19-7-3-4-8-21(19)27(29)30/h1-12H,(H,26,28)
InChIKeyAFJJDPGDUMKWLZ-UHFFFAOYSA-N
XLogP6.37
TPSA85.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.27
LogP ≤ 56.37
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'}

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Related Compounds

N-(2-chlorophenyl)-2-(2,4-dichlorophenyl)quinoline-4-carboxamide
CID 3131012
6-chloro-2-(2,5-dimethylthiophen-3-yl)-N-(2-nitrophenyl)quinoline-4-carboxamide
CID 2965596
2-(5-chlorothiophen-2-yl)-N-(2-nitrophenyl)quinoline-4-carboxamide
CID 4115953
2-(2,4-dichlorophenyl)-N-(6-nitro-1,3-benzothiazol-2-yl)quinoline-4-carboxamide
CID 5176488
2-(2,4-dichlorophenyl)-4-nitroquinoline
CID 101421541
2-(furan-2-yl)-N-(2-nitrophenyl)quinoline-4-carboxamide
CID 4601921
2-(2,4-dichlorophenyl)-N-pyridin-4-ylquinoline-4-carboxamide
CID 3601091
N-(2,4-dichlorophenyl)-2-(2,4-dimethylphenyl)quinoline-4-carboxamide
CID 4306241
2-(2,4-dichlorophenyl)-N-(1H-1,2,4-triazol-5-yl)quinoline-4-carboxamide
CID 35524053
2-(2,4-dichlorophenyl)-N-[(4-methylphenyl)methyl]quinoline-4-carboxamide
CID 4162780
2-(2-chlorophenyl)-N-(3-nitrophenyl)quinoline-4-carboxamide
CID 1220548
N-(2,4-dichlorophenyl)-2-(3,4-dichlorophenyl)quinoline-4-carboxamide
CID 3264826

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-N-(2-nitrophenyl)quinoline-4-carboxamide?
The IUPAC name of 2-(2,4-dichlorophenyl)-N-(2-nitrophenyl)quinoline-4-carboxamide (CID 3565307) is 2-(2,4-dichlorophenyl)-N-(2-nitrophenyl)quinoline-4-carboxamide.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-N-(2-nitrophenyl)quinoline-4-carboxamide?
The canonical SMILES for 2-(2,4-dichlorophenyl)-N-(2-nitrophenyl)quinoline-4-carboxamide is O=C(Nc1ccccc1[N+](=O)[O-])c1cc(-c2ccc(Cl)cc2Cl)nc2ccccc12.
What is the InChIKey of 2-(2,4-dichlorophenyl)-N-(2-nitrophenyl)quinoline-4-carboxamide?
The InChIKey is AFJJDPGDUMKWLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H13Cl2N3O3/c23-13-9-10-15(17(24)11-13)20-12-16(14-5-1-2-6-18(14)25-20)22(28)26-19-7-3-4-8-21(19)27(29)30/h1-12H,(H,26,28).
What are the key properties of 2-(2,4-dichlorophenyl)-N-(2-nitrophenyl)quinoline-4-carboxamide?
2-(2,4-dichlorophenyl)-N-(2-nitrophenyl)quinoline-4-carboxamide has a molecular weight of 438.27 g/mol, XLogP of 6.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)-N-(2-nitrophenyl)quinoline-4-carboxamide is sourced from PubChem (CID 3565307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).