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

C16H11N3O3 — CID 70487298

IUPAC4-(3-nitrophenyl)quinoline-2-carboxamide
SMILESNC(=O)c1cc(-c2cccc([N+](=O)[O-])c2)c2ccccc2n1
InChIInChI=1S/C16H11N3O3/c17-16(20)15-9-13(12-6-1-2-7-14(12)18-15)10-4-3-5-11(8-10)19(21)22/h1-9H,(H2,17,20)
InChIKeyWGLRZCLSLILSGY-UHFFFAOYSA-N
MW293.28 g/mol
LogP2.91
Rot. Bonds3

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

4-(3-nitrophenyl)quinoline-2-carboxamide (PubChem CID 70487298) has the molecular formula C16H11N3O3 and a molecular weight of 293.28 g/mol. Its IUPAC name is 4-(3-nitrophenyl)quinoline-2-carboxamide.

Molecular Properties

Compound Name4-(3-nitrophenyl)quinoline-2-carboxamide
PubChem CID70487298
Molecular FormulaC16H11N3O3
Molecular Weight293.28 g/mol
Exact Mass293.08
IUPAC Name4-(3-nitrophenyl)quinoline-2-carboxamide
SMILESNC(=O)c1cc(-c2cccc([N+](=O)[O-])c2)c2ccccc2n1
InChIInChI=1S/C16H11N3O3/c17-16(20)15-9-13(12-6-1-2-7-14(12)18-15)10-4-3-5-11(8-10)19(21)22/h1-9H,(H2,17,20)
InChIKeyWGLRZCLSLILSGY-UHFFFAOYSA-N
XLogP2.91
TPSA99.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.28
LogP ≤ 52.91
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

4-(4-bromophenyl)quinoline-2-carboxamide
CID 71566349
2,3-bis(3-nitrophenyl)quinoxaline
CID 71350595
[2-(3-nitrophenyl)naphthalen-1-yl]-phenylmethanone
CID 46928614
1-(3-nitrophenyl)-3-phenylbenzene
CID 12623202
silver;4-bromo-2-(3-nitrophenyl)benzamide;sulfanide
CID 165411671
4-(6-cyclopropyl-3-pyridinyl)quinoline-2-carboxamide
CID 66851974
6-nitro-2-[3-(6-nitro-4-phenylquinolin-2-yl)phenyl]-4-phenylquinoline
CID 10650785
3-(3-nitrophenyl)-6-[3-(3-nitrophenyl)-2-phenylquinoxalin-6-yl]-2-phenylquinoxaline
CID 59800540
1,1'-biphenyl;1,3-dinitrobenzene
CID 174540087
formic acid;1-nitro-3-phenylbenzene
CID 158057338
3-nitro-N-(2-phenylquinazolin-4-yl)benzamide
CID 155524329
ethyl 2-methyl-4-(3-nitrophenyl)-6-phenylpyridine-3-carboxylate
CID 10248079

Frequently Asked Questions

What is the IUPAC name of 4-(3-nitrophenyl)quinoline-2-carboxamide?
The IUPAC name of 4-(3-nitrophenyl)quinoline-2-carboxamide (CID 70487298) is 4-(3-nitrophenyl)quinoline-2-carboxamide.
What is the SMILES notation for 4-(3-nitrophenyl)quinoline-2-carboxamide?
The canonical SMILES for 4-(3-nitrophenyl)quinoline-2-carboxamide is NC(=O)c1cc(-c2cccc([N+](=O)[O-])c2)c2ccccc2n1.
What is the InChIKey of 4-(3-nitrophenyl)quinoline-2-carboxamide?
The InChIKey is WGLRZCLSLILSGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N3O3/c17-16(20)15-9-13(12-6-1-2-7-14(12)18-15)10-4-3-5-11(8-10)19(21)22/h1-9H,(H2,17,20).
What are the key properties of 4-(3-nitrophenyl)quinoline-2-carboxamide?
4-(3-nitrophenyl)quinoline-2-carboxamide has a molecular weight of 293.28 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-nitrophenyl)quinoline-2-carboxamide is sourced from PubChem (CID 70487298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).