2-(3-bromophenyl)-N-(2-methoxy-5-nitrophenyl)quinoline-4-carboxamide

C23H16BrN3O4 — CID 4196930

IUPAC2-(3-bromophenyl)-N-(2-methoxy-5-nitrophenyl)quinoline-4-carboxamide
SMILESCOc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(-c2cccc(Br)c2)nc2ccccc12
InChIInChI=1S/C23H16BrN3O4/c1-31-22-10-9-16(27(29)30)12-21(22)26-23(28)18-13-20(14-5-4-6-15(24)11-14)25-19-8-3-2-7-17(18)19/h2-13H,1H3,(H,26,28)
InChIKeyHIEGLFAUOOPBDD-UHFFFAOYSA-N
MW478.30 g/mol
LogP5.83
Rot. Bonds5

About 2-(3-bromophenyl)-N-(2-methoxy-5-nitrophenyl)quinoline-4-carboxamide

2-(3-bromophenyl)-N-(2-methoxy-5-nitrophenyl)quinoline-4-carboxamide (PubChem CID 4196930) has the molecular formula C23H16BrN3O4 and a molecular weight of 478.30 g/mol. Its IUPAC name is 2-(3-bromophenyl)-N-(2-methoxy-5-nitrophenyl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(3-bromophenyl)-N-(2-methoxy-5-nitrophenyl)quinoline-4-carboxamide
PubChem CID4196930
Molecular FormulaC23H16BrN3O4
Molecular Weight478.30 g/mol
Exact Mass477.03
IUPAC Name2-(3-bromophenyl)-N-(2-methoxy-5-nitrophenyl)quinoline-4-carboxamide
SMILESCOc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(-c2cccc(Br)c2)nc2ccccc12
InChIInChI=1S/C23H16BrN3O4/c1-31-22-10-9-16(27(29)30)12-21(22)26-23(28)18-13-20(14-5-4-6-15(24)11-14)25-19-8-3-2-7-17(18)19/h2-13H,1H3,(H,26,28)
InChIKeyHIEGLFAUOOPBDD-UHFFFAOYSA-N
XLogP5.83
TPSA94.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.30
LogP ≤ 55.83
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

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-nitrophenyl)quinoline-4-carboxamide
CID 2930757
2-(3,4-dimethoxyphenyl)-N-(4-methyl-2-nitrophenyl)quinoline-4-carboxamide
CID 2930791
2-(4-bromophenyl)-N-(3-nitrophenyl)quinoline-4-carboxamide
CID 5047594
2-(2,4-dimethoxyphenyl)-N-(2-methoxy-4-nitrophenyl)quinoline-4-carboxamide
CID 2933028
2-(3,4-dimethoxyphenyl)-N-naphthalen-1-ylquinoline-4-carboxamide
CID 3253298
2-(3-bromophenyl)-N-(2,3,4,5,6-pentafluorophenyl)quinoline-4-carboxamide
CID 3535880
2-(4-chlorophenyl)-N-(2,5-dimethoxyphenyl)quinoline-4-carboxamide
CID 5094767
[2-(2-methoxy-5-nitroanilino)-2-oxoethyl] 2-pyridin-2-ylquinoline-4-carboxylate
CID 23913495
N-(2,4-dibromophenyl)-2-(4-methoxyphenyl)quinoline-4-carboxamide
CID 4056955
N-(4-chloro-2-methoxy-5-methylphenyl)-2-phenylquinoline-4-carboxamide
CID 1328482

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-N-(2-methoxy-5-nitrophenyl)quinoline-4-carboxamide?
The IUPAC name of 2-(3-bromophenyl)-N-(2-methoxy-5-nitrophenyl)quinoline-4-carboxamide (CID 4196930) is 2-(3-bromophenyl)-N-(2-methoxy-5-nitrophenyl)quinoline-4-carboxamide.
What is the SMILES notation for 2-(3-bromophenyl)-N-(2-methoxy-5-nitrophenyl)quinoline-4-carboxamide?
The canonical SMILES for 2-(3-bromophenyl)-N-(2-methoxy-5-nitrophenyl)quinoline-4-carboxamide is COc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(-c2cccc(Br)c2)nc2ccccc12.
What is the InChIKey of 2-(3-bromophenyl)-N-(2-methoxy-5-nitrophenyl)quinoline-4-carboxamide?
The InChIKey is HIEGLFAUOOPBDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16BrN3O4/c1-31-22-10-9-16(27(29)30)12-21(22)26-23(28)18-13-20(14-5-4-6-15(24)11-14)25-19-8-3-2-7-17(18)19/h2-13H,1H3,(H,26,28).
What are the key properties of 2-(3-bromophenyl)-N-(2-methoxy-5-nitrophenyl)quinoline-4-carboxamide?
2-(3-bromophenyl)-N-(2-methoxy-5-nitrophenyl)quinoline-4-carboxamide has a molecular weight of 478.30 g/mol, XLogP of 5.83, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-N-(2-methoxy-5-nitrophenyl)quinoline-4-carboxamide is sourced from PubChem (CID 4196930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).