2-[(E)-2-(3-nitrophenyl)ethenyl]-1H-quinolin-4-one

C17H12N2O3 — CID 155542140

IUPAC2-[(E)-2-(3-nitrophenyl)ethenyl]-1H-quinolin-4-one
SMILESO=c1cc(/C=C/c2cccc([N+](=O)[O-])c2)[nH]c2ccccc12
InChIInChI=1S/C17H12N2O3/c20-17-11-13(18-16-7-2-1-6-15(16)17)9-8-12-4-3-5-14(10-12)19(21)22/h1-11H,(H,18,20)/b9-8+
InChIKeyLKKAARKBWKGBHB-CMDGGOBGSA-N
MW292.29 g/mol
LogP3.61
Rot. Bonds3

About 2-[(E)-2-(3-nitrophenyl)ethenyl]-1H-quinolin-4-one

2-[(E)-2-(3-nitrophenyl)ethenyl]-1H-quinolin-4-one (PubChem CID 155542140) has the molecular formula C17H12N2O3 and a molecular weight of 292.29 g/mol. Its IUPAC name is 2-[(E)-2-(3-nitrophenyl)ethenyl]-1H-quinolin-4-one.

Molecular Properties

Compound Name2-[(E)-2-(3-nitrophenyl)ethenyl]-1H-quinolin-4-one
PubChem CID155542140
Molecular FormulaC17H12N2O3
Molecular Weight292.29 g/mol
Exact Mass292.08
IUPAC Name2-[(E)-2-(3-nitrophenyl)ethenyl]-1H-quinolin-4-one
SMILESO=c1cc(/C=C/c2cccc([N+](=O)[O-])c2)[nH]c2ccccc12
InChIInChI=1S/C17H12N2O3/c20-17-11-13(18-16-7-2-1-6-15(16)17)9-8-12-4-3-5-14(10-12)19(21)22/h1-11H,(H,18,20)/b9-8+
InChIKeyLKKAARKBWKGBHB-CMDGGOBGSA-N
XLogP3.61
TPSA76.00 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.29
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

1-nitro-3-[2-(3-nitrophenyl)ethenyl]benzene
CID 622998
(2E)-2-[(3-nitrophenyl)methylidene]-4,9-dihydro-3H-carbazol-1-one
CID 6517331
2-[2-(3-nitrophenyl)ethenyl]-1H-benzimidazole;hydrochloride
CID 71966072
3-methyl-2-[(E)-2-(3-nitrophenyl)ethenyl]quinazolin-4-one
CID 5378684
2-[2-(2-methylphenyl)ethenyl]-1H-quinolin-4-one
CID 2976580
1-methyl-4-[(E)-2-(3-nitrophenyl)ethenyl]naphthalene
CID 100934830
3-[(Z)-2-(3-nitrophenyl)ethenyl]aniline
CID 92527304
4-[(E)-2-(3-nitrophenyl)ethenyl]cinnoline
CID 21118397
methyl 4-[(E)-2-(4-oxo-1H-quinolin-2-yl)ethenyl]benzoate
CID 26366920
1-[(E)-2-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]ethenyl]-3-nitrobenzene
CID 23386675
[(2R)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] (E)-3-(3-nitrophenyl)prop-2-enoate
CID 8760580
5-nitro-4-[2-(3-nitrophenyl)ethenyl]-1H-imidazole
CID 135541183

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(3-nitrophenyl)ethenyl]-1H-quinolin-4-one?
The IUPAC name of 2-[(E)-2-(3-nitrophenyl)ethenyl]-1H-quinolin-4-one (CID 155542140) is 2-[(E)-2-(3-nitrophenyl)ethenyl]-1H-quinolin-4-one.
What is the SMILES notation for 2-[(E)-2-(3-nitrophenyl)ethenyl]-1H-quinolin-4-one?
The canonical SMILES for 2-[(E)-2-(3-nitrophenyl)ethenyl]-1H-quinolin-4-one is O=c1cc(/C=C/c2cccc([N+](=O)[O-])c2)[nH]c2ccccc12.
What is the InChIKey of 2-[(E)-2-(3-nitrophenyl)ethenyl]-1H-quinolin-4-one?
The InChIKey is LKKAARKBWKGBHB-CMDGGOBGSA-N. The full InChI is InChI=1S/C17H12N2O3/c20-17-11-13(18-16-7-2-1-6-15(16)17)9-8-12-4-3-5-14(10-12)19(21)22/h1-11H,(H,18,20)/b9-8+.
What are the key properties of 2-[(E)-2-(3-nitrophenyl)ethenyl]-1H-quinolin-4-one?
2-[(E)-2-(3-nitrophenyl)ethenyl]-1H-quinolin-4-one has a molecular weight of 292.29 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(3-nitrophenyl)ethenyl]-1H-quinolin-4-one is sourced from PubChem (CID 155542140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).