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

C24H16ClNO2 — CID 155809362

IUPAC3-benzoyl-4-[(E)-2-(4-chlorophenyl)ethenyl]-1H-quinolin-2-one
SMILESO=C(c1ccccc1)c1c(/C=C/c2ccc(Cl)cc2)c2ccccc2[nH]c1=O
InChIInChI=1S/C24H16ClNO2/c25-18-13-10-16(11-14-18)12-15-20-19-8-4-5-9-21(19)26-24(28)22(20)23(27)17-6-2-1-3-7-17/h1-15H,(H,26,28)/b15-12+
InChIKeyFGCXOVJCZBKNLW-NTCAYCPXSA-N
MW385.85 g/mol
LogP5.58
Rot. Bonds4

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

3-benzoyl-4-[(E)-2-(4-chlorophenyl)ethenyl]-1H-quinolin-2-one (PubChem CID 155809362) has the molecular formula C24H16ClNO2 and a molecular weight of 385.85 g/mol. Its IUPAC name is 3-benzoyl-4-[(E)-2-(4-chlorophenyl)ethenyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name3-benzoyl-4-[(E)-2-(4-chlorophenyl)ethenyl]-1H-quinolin-2-one
PubChem CID155809362
Molecular FormulaC24H16ClNO2
Molecular Weight385.85 g/mol
Exact Mass385.09
IUPAC Name3-benzoyl-4-[(E)-2-(4-chlorophenyl)ethenyl]-1H-quinolin-2-one
SMILESO=C(c1ccccc1)c1c(/C=C/c2ccc(Cl)cc2)c2ccccc2[nH]c1=O
InChIInChI=1S/C24H16ClNO2/c25-18-13-10-16(11-14-18)12-15-20-19-8-4-5-9-21(19)26-24(28)22(20)23(27)17-6-2-1-3-7-17/h1-15H,(H,26,28)/b15-12+
InChIKeyFGCXOVJCZBKNLW-NTCAYCPXSA-N
XLogP5.58
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.85
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-acetyl-4-[(E)-2-phenylethenyl]-1H-quinolin-2-one
CID 162395799
3-[(E)-2-(4-chlorophenyl)ethenyl]-2-[(E)-2-phenylethenyl]-1H-indole
CID 122628074
phenyl-[2-[(E)-2-phenylethenyl]-1H-indol-3-yl]methanone
CID 10314121
4-amino-3-benzoyl-1H-quinolin-2-one
CID 11737142
9H-carbazole;phenyl-[2-(2-phenylethenyl)phenyl]methanone
CID 162206940
2-benzoyl-3-(4-chlorophenyl)-1H-quinolin-4-one
CID 132534397
4-(4-hydroxy-2-oxo-1H-quinoline-3-carbonyl)benzoic acid
CID 135568407
(3-ethenyl-1H-indol-2-yl)-phenylmethanone
CID 102499335
3-(4-chlorophenyl)sulfanyl-2-oxo-1H-quinoline-4-carboxylic acid
CID 90645721
(Z)-3-(4-chlorophenyl)-1-phenylprop-2-en-1-one
CID 7292267
6-bromo-2-[(E)-2-(4-chlorophenyl)ethenyl]-1H-indole-3-carboxylic acid
CID 118657858
(2-fluoro-1H-indol-3-yl)-phenylmethanone
CID 175455866

Frequently Asked Questions

What is the IUPAC name of 3-benzoyl-4-[(E)-2-(4-chlorophenyl)ethenyl]-1H-quinolin-2-one?
The IUPAC name of 3-benzoyl-4-[(E)-2-(4-chlorophenyl)ethenyl]-1H-quinolin-2-one (CID 155809362) is 3-benzoyl-4-[(E)-2-(4-chlorophenyl)ethenyl]-1H-quinolin-2-one.
What is the SMILES notation for 3-benzoyl-4-[(E)-2-(4-chlorophenyl)ethenyl]-1H-quinolin-2-one?
The canonical SMILES for 3-benzoyl-4-[(E)-2-(4-chlorophenyl)ethenyl]-1H-quinolin-2-one is O=C(c1ccccc1)c1c(/C=C/c2ccc(Cl)cc2)c2ccccc2[nH]c1=O.
What is the InChIKey of 3-benzoyl-4-[(E)-2-(4-chlorophenyl)ethenyl]-1H-quinolin-2-one?
The InChIKey is FGCXOVJCZBKNLW-NTCAYCPXSA-N. The full InChI is InChI=1S/C24H16ClNO2/c25-18-13-10-16(11-14-18)12-15-20-19-8-4-5-9-21(19)26-24(28)22(20)23(27)17-6-2-1-3-7-17/h1-15H,(H,26,28)/b15-12+.
What are the key properties of 3-benzoyl-4-[(E)-2-(4-chlorophenyl)ethenyl]-1H-quinolin-2-one?
3-benzoyl-4-[(E)-2-(4-chlorophenyl)ethenyl]-1H-quinolin-2-one has a molecular weight of 385.85 g/mol, XLogP of 5.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzoyl-4-[(E)-2-(4-chlorophenyl)ethenyl]-1H-quinolin-2-one is sourced from PubChem (CID 155809362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).