6-methyl-N-(3-nitrophenyl)-2-phenylquinoline-4-carboxamide

C23H17N3O3 — CID 1122087

IUPAC6-methyl-N-(3-nitrophenyl)-2-phenylquinoline-4-carboxamide
SMILESCc1ccc2nc(-c3ccccc3)cc(C(=O)Nc3cccc([N+](=O)[O-])c3)c2c1
InChIInChI=1S/C23H17N3O3/c1-15-10-11-21-19(12-15)20(14-22(25-21)16-6-3-2-4-7-16)23(27)24-17-8-5-9-18(13-17)26(28)29/h2-14H,1H3,(H,24,27)
InChIKeyXSAARVNWTMKIRM-UHFFFAOYSA-N
MW383.41 g/mol
LogP5.37
Rot. Bonds4

About 6-methyl-N-(3-nitrophenyl)-2-phenylquinoline-4-carboxamide

6-methyl-N-(3-nitrophenyl)-2-phenylquinoline-4-carboxamide (PubChem CID 1122087) has the molecular formula C23H17N3O3 and a molecular weight of 383.41 g/mol. Its IUPAC name is 6-methyl-N-(3-nitrophenyl)-2-phenylquinoline-4-carboxamide.

Molecular Properties

Compound Name6-methyl-N-(3-nitrophenyl)-2-phenylquinoline-4-carboxamide
PubChem CID1122087
Molecular FormulaC23H17N3O3
Molecular Weight383.41 g/mol
Exact Mass383.13
IUPAC Name6-methyl-N-(3-nitrophenyl)-2-phenylquinoline-4-carboxamide
SMILESCc1ccc2nc(-c3ccccc3)cc(C(=O)Nc3cccc([N+](=O)[O-])c3)c2c1
InChIInChI=1S/C23H17N3O3/c1-15-10-11-21-19(12-15)20(14-22(25-21)16-6-3-2-4-7-16)23(27)24-17-8-5-9-18(13-17)26(28)29/h2-14H,1H3,(H,24,27)
InChIKeyXSAARVNWTMKIRM-UHFFFAOYSA-N
XLogP5.37
TPSA85.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.41
LogP ≤ 55.37
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

2-(4-bromophenyl)-N-(3-nitrophenyl)quinoline-4-carboxamide
CID 5047594
N-(3,4-dichlorophenyl)-6-methyl-2-phenylquinoline-4-carboxamide
CID 3131018
2-(4-acetamidophenyl)-N-(3-acetylphenyl)-6-methylquinoline-4-carboxamide
CID 46375355
6-methyl-N,2-dipyridin-4-ylquinoline-4-carboxamide
CID 899146
2-(2-chlorophenyl)-N-(3-nitrophenyl)quinoline-4-carboxamide
CID 1220548
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-cyclopropyl-N-(3-nitrophenyl)quinoline-4-carboxamide
CID 9040689
6-methyl-N-(3-phenylphenyl)quinoline-4-carboxamide
CID 67551145
6-methyl-N-(4-methyl-2-pyridinyl)-2-phenylquinoline-4-carboxamide
CID 16573417
N-(3-nitro-5-phenoxyphenyl)-2-phenylquinoline-4-carboxamide
CID 3107712
2-(4-fluorophenyl)-6-methyl-N-(4-methylphenyl)quinoline-4-carboxamide
CID 42749727

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-(3-nitrophenyl)-2-phenylquinoline-4-carboxamide?
The IUPAC name of 6-methyl-N-(3-nitrophenyl)-2-phenylquinoline-4-carboxamide (CID 1122087) is 6-methyl-N-(3-nitrophenyl)-2-phenylquinoline-4-carboxamide.
What is the SMILES notation for 6-methyl-N-(3-nitrophenyl)-2-phenylquinoline-4-carboxamide?
The canonical SMILES for 6-methyl-N-(3-nitrophenyl)-2-phenylquinoline-4-carboxamide is Cc1ccc2nc(-c3ccccc3)cc(C(=O)Nc3cccc([N+](=O)[O-])c3)c2c1.
What is the InChIKey of 6-methyl-N-(3-nitrophenyl)-2-phenylquinoline-4-carboxamide?
The InChIKey is XSAARVNWTMKIRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N3O3/c1-15-10-11-21-19(12-15)20(14-22(25-21)16-6-3-2-4-7-16)23(27)24-17-8-5-9-18(13-17)26(28)29/h2-14H,1H3,(H,24,27).
What are the key properties of 6-methyl-N-(3-nitrophenyl)-2-phenylquinoline-4-carboxamide?
6-methyl-N-(3-nitrophenyl)-2-phenylquinoline-4-carboxamide has a molecular weight of 383.41 g/mol, XLogP of 5.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-(3-nitrophenyl)-2-phenylquinoline-4-carboxamide is sourced from PubChem (CID 1122087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).