2-(furan-2-yl)-N-(2-nitrophenyl)quinoline-4-carboxamide

C20H13N3O4 — CID 4601921

IUPAC2-(furan-2-yl)-N-(2-nitrophenyl)quinoline-4-carboxamide
SMILESO=C(Nc1ccccc1[N+](=O)[O-])c1cc(-c2ccco2)nc2ccccc12
InChIInChI=1S/C20H13N3O4/c24-20(22-16-8-3-4-9-18(16)23(25)26)14-12-17(19-10-5-11-27-19)21-15-7-2-1-6-13(14)15/h1-12H,(H,22,24)
InChIKeyAKCYJGPSJKDQMA-UHFFFAOYSA-N
MW359.34 g/mol
LogP4.66
Rot. Bonds4

About 2-(furan-2-yl)-N-(2-nitrophenyl)quinoline-4-carboxamide

2-(furan-2-yl)-N-(2-nitrophenyl)quinoline-4-carboxamide (PubChem CID 4601921) has the molecular formula C20H13N3O4 and a molecular weight of 359.34 g/mol. Its IUPAC name is 2-(furan-2-yl)-N-(2-nitrophenyl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(furan-2-yl)-N-(2-nitrophenyl)quinoline-4-carboxamide
PubChem CID4601921
Molecular FormulaC20H13N3O4
Molecular Weight359.34 g/mol
Exact Mass359.09
IUPAC Name2-(furan-2-yl)-N-(2-nitrophenyl)quinoline-4-carboxamide
SMILESO=C(Nc1ccccc1[N+](=O)[O-])c1cc(-c2ccco2)nc2ccccc12
InChIInChI=1S/C20H13N3O4/c24-20(22-16-8-3-4-9-18(16)23(25)26)14-12-17(19-10-5-11-27-19)21-15-7-2-1-6-13(14)15/h1-12H,(H,22,24)
InChIKeyAKCYJGPSJKDQMA-UHFFFAOYSA-N
XLogP4.66
TPSA98.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.34
LogP ≤ 54.66
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-(furan-2-yl)-N-(2-phenoxyphenyl)quinoline-4-carboxamide
CID 4197636
N-(2,4-dimethylphenyl)-2-(furan-2-yl)quinoline-4-carboxamide
CID 694750
2-(5-chlorothiophen-2-yl)-N-(2-nitrophenyl)quinoline-4-carboxamide
CID 4115953
N-(2-ethoxyphenyl)-2-(furan-2-yl)quinoline-4-carboxamide
CID 3391261
2-(2,4-dichlorophenyl)-N-(2-nitrophenyl)quinoline-4-carboxamide
CID 3565307
ethyl 2-[[2-(furan-2-yl)quinoline-4-carbonyl]amino]benzoate
CID 1222332
N-tert-butyl-2-(furan-2-yl)quinoline-4-carboxamide
CID 3611196
N-(2-chloro-4-fluorophenyl)-2-(furan-2-yl)quinoline-4-carboxamide
CID 8011201
2-(furan-2-yl)-N-(2-morpholin-4-ylphenyl)quinoline-4-carboxamide
CID 2361912
2-(furan-2-yl)-N-[4-[4-[[2-(furan-2-yl)quinoline-4-carbonyl]amino]phenoxy]phenyl]quinoline-4-carboxamide
CID 3663828
N-(3,5-dimethoxyphenyl)-2-(furan-2-yl)quinoline-4-carboxamide
CID 9096906
2-(furan-2-yl)-N-(2,6,8-trimethylquinolin-4-yl)quinoline-4-carboxamide
CID 43853827

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-N-(2-nitrophenyl)quinoline-4-carboxamide?
The IUPAC name of 2-(furan-2-yl)-N-(2-nitrophenyl)quinoline-4-carboxamide (CID 4601921) is 2-(furan-2-yl)-N-(2-nitrophenyl)quinoline-4-carboxamide.
What is the SMILES notation for 2-(furan-2-yl)-N-(2-nitrophenyl)quinoline-4-carboxamide?
The canonical SMILES for 2-(furan-2-yl)-N-(2-nitrophenyl)quinoline-4-carboxamide is O=C(Nc1ccccc1[N+](=O)[O-])c1cc(-c2ccco2)nc2ccccc12.
What is the InChIKey of 2-(furan-2-yl)-N-(2-nitrophenyl)quinoline-4-carboxamide?
The InChIKey is AKCYJGPSJKDQMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13N3O4/c24-20(22-16-8-3-4-9-18(16)23(25)26)14-12-17(19-10-5-11-27-19)21-15-7-2-1-6-13(14)15/h1-12H,(H,22,24).
What are the key properties of 2-(furan-2-yl)-N-(2-nitrophenyl)quinoline-4-carboxamide?
2-(furan-2-yl)-N-(2-nitrophenyl)quinoline-4-carboxamide has a molecular weight of 359.34 g/mol, XLogP of 4.66, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-N-(2-nitrophenyl)quinoline-4-carboxamide is sourced from PubChem (CID 4601921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).