2-(4-methoxyphenyl)-N-(2-methyl-4-nitrophenyl)quinoline-4-carboxamide

C24H19N3O4 — CID 2930757

IUPAC2-(4-methoxyphenyl)-N-(2-methyl-4-nitrophenyl)quinoline-4-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)Nc3ccc([N+](=O)[O-])cc3C)c3ccccc3n2)cc1
InChIInChI=1S/C24H19N3O4/c1-15-13-17(27(29)30)9-12-21(15)26-24(28)20-14-23(16-7-10-18(31-2)11-8-16)25-22-6-4-3-5-19(20)22/h3-14H,1-2H3,(H,26,28)
InChIKeyZQIXOZDXADIJCO-UHFFFAOYSA-N
MW413.43 g/mol
LogP5.38
Rot. Bonds5

About 2-(4-methoxyphenyl)-N-(2-methyl-4-nitrophenyl)quinoline-4-carboxamide

2-(4-methoxyphenyl)-N-(2-methyl-4-nitrophenyl)quinoline-4-carboxamide (PubChem CID 2930757) has the molecular formula C24H19N3O4 and a molecular weight of 413.43 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-N-(2-methyl-4-nitrophenyl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-N-(2-methyl-4-nitrophenyl)quinoline-4-carboxamide
PubChem CID2930757
Molecular FormulaC24H19N3O4
Molecular Weight413.43 g/mol
Exact Mass413.14
IUPAC Name2-(4-methoxyphenyl)-N-(2-methyl-4-nitrophenyl)quinoline-4-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)Nc3ccc([N+](=O)[O-])cc3C)c3ccccc3n2)cc1
InChIInChI=1S/C24H19N3O4/c1-15-13-17(27(29)30)9-12-21(15)26-24(28)20-14-23(16-7-10-18(31-2)11-8-16)25-22-6-4-3-5-19(20)22/h3-14H,1-2H3,(H,26,28)
InChIKeyZQIXOZDXADIJCO-UHFFFAOYSA-N
XLogP5.38
TPSA94.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.43
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

2-(1,3-benzodioxol-5-yl)-N-(2-methyl-4-nitrophenyl)quinoline-4-carboxamide
CID 5189265
2-(2,4-dimethoxyphenyl)-N-(2-methoxy-4-nitrophenyl)quinoline-4-carboxamide
CID 2933028
N-(2-methoxy-5-nitrophenyl)-2-(3-methoxyphenyl)quinoline-4-carboxamide
CID 5219745
2-(4-ethoxyphenyl)-N-(2-methoxy-5-nitrophenyl)quinoline-4-carboxamide
CID 1290094
2-(4-methoxyphenyl)-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)quinoline-4-carboxamide
CID 52765868
2-(4-ethylphenyl)-N-(4-methoxy-2-nitrophenyl)quinoline-4-carboxamide
CID 4216201
2-(3-methoxyphenyl)-N-(2-methylphenyl)quinoline-4-carboxamide
CID 1220289
2-(1-ethyl-5-methylpyrazol-4-yl)-N-(2-methyl-4-nitrophenyl)quinoline-4-carboxamide
CID 19512081
2-(1-ethyl-3-methylpyrazol-4-yl)-N-(2-methyl-4-nitrophenyl)quinoline-4-carboxamide
CID 19511477
N-(2,4-dimethylphenyl)-2-phenylquinoline-4-carboxamide
CID 3480982
N-(4,5-dimethoxy-2-methylphenyl)-2-(4-methylphenyl)quinoline-4-carboxamide
CID 7923987
N-(2,4-dibromophenyl)-2-(4-methoxyphenyl)quinoline-4-carboxamide
CID 4056955

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-N-(2-methyl-4-nitrophenyl)quinoline-4-carboxamide?
The IUPAC name of 2-(4-methoxyphenyl)-N-(2-methyl-4-nitrophenyl)quinoline-4-carboxamide (CID 2930757) is 2-(4-methoxyphenyl)-N-(2-methyl-4-nitrophenyl)quinoline-4-carboxamide.
What is the SMILES notation for 2-(4-methoxyphenyl)-N-(2-methyl-4-nitrophenyl)quinoline-4-carboxamide?
The canonical SMILES for 2-(4-methoxyphenyl)-N-(2-methyl-4-nitrophenyl)quinoline-4-carboxamide is COc1ccc(-c2cc(C(=O)Nc3ccc([N+](=O)[O-])cc3C)c3ccccc3n2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-N-(2-methyl-4-nitrophenyl)quinoline-4-carboxamide?
The InChIKey is ZQIXOZDXADIJCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3O4/c1-15-13-17(27(29)30)9-12-21(15)26-24(28)20-14-23(16-7-10-18(31-2)11-8-16)25-22-6-4-3-5-19(20)22/h3-14H,1-2H3,(H,26,28).
What are the key properties of 2-(4-methoxyphenyl)-N-(2-methyl-4-nitrophenyl)quinoline-4-carboxamide?
2-(4-methoxyphenyl)-N-(2-methyl-4-nitrophenyl)quinoline-4-carboxamide has a molecular weight of 413.43 g/mol, XLogP of 5.38, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-N-(2-methyl-4-nitrophenyl)quinoline-4-carboxamide is sourced from PubChem (CID 2930757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).