1-[(4-chlorophenyl)methyl]quinolin-2-one

C16H12ClNO — CID 58966930

IUPAC1-[(4-chlorophenyl)methyl]quinolin-2-one
SMILESO=c1ccc2ccccc2n1Cc1ccc(Cl)cc1
InChIInChI=1S/C16H12ClNO/c17-14-8-5-12(6-9-14)11-18-15-4-2-1-3-13(15)7-10-16(18)19/h1-10H,11H2
InChIKeyZIBMWVYUBRZTLI-UHFFFAOYSA-N
MW269.73 g/mol
LogP3.70
Rot. Bonds2

About 1-[(4-chlorophenyl)methyl]quinolin-2-one

1-[(4-chlorophenyl)methyl]quinolin-2-one (PubChem CID 58966930) has the molecular formula C16H12ClNO and a molecular weight of 269.73 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]quinolin-2-one.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]quinolin-2-one
PubChem CID58966930
Molecular FormulaC16H12ClNO
Molecular Weight269.73 g/mol
Exact Mass269.06
IUPAC Name1-[(4-chlorophenyl)methyl]quinolin-2-one
SMILESO=c1ccc2ccccc2n1Cc1ccc(Cl)cc1
InChIInChI=1S/C16H12ClNO/c17-14-8-5-12(6-9-14)11-18-15-4-2-1-3-13(15)7-10-16(18)19/h1-10H,11H2
InChIKeyZIBMWVYUBRZTLI-UHFFFAOYSA-N
XLogP3.70
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.73
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-ethylquinolin-2-one;hydrochloride
CID 141095108
2-[2-[(2-oxoquinolin-1-yl)methyl]phenyl]acetic acid
CID 22077317
9-[(4-chlorophenyl)methyl]carbazole
CID 15206746
1-[(dimethylamino)methyl]quinolin-2-one
CID 143777821
1-[[chloro(dimethyl)silyl]methyl]quinolin-2-one
CID 10729461
2-[(4-chlorobenzoyl)amino]-3-(2-oxoquinolin-1-yl)propanoic acid
CID 57290117
3-[(4-chlorophenyl)methyl]-1H-benzimidazol-2-one
CID 4681038
1,3-bis[(4-chlorophenyl)methyl]quinazoline-2,4-dione
CID 1241199
1-(1H-imidazol-5-ylmethyl)quinolin-2-one
CID 22226593
1-[(4-chlorophenyl)methyl]-3,1-benzoxazine-2,4-dione
CID 771877
1-[(4-chlorophenyl)methyl]quinazoline-2,4-dione
CID 19744058
1-[2-(dimethylamino)ethyl]quinolin-2-one
CID 45117450

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]quinolin-2-one?
The IUPAC name of 1-[(4-chlorophenyl)methyl]quinolin-2-one (CID 58966930) is 1-[(4-chlorophenyl)methyl]quinolin-2-one.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]quinolin-2-one?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]quinolin-2-one is O=c1ccc2ccccc2n1Cc1ccc(Cl)cc1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]quinolin-2-one?
The InChIKey is ZIBMWVYUBRZTLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClNO/c17-14-8-5-12(6-9-14)11-18-15-4-2-1-3-13(15)7-10-16(18)19/h1-10H,11H2.
What are the key properties of 1-[(4-chlorophenyl)methyl]quinolin-2-one?
1-[(4-chlorophenyl)methyl]quinolin-2-one has a molecular weight of 269.73 g/mol, XLogP of 3.70, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]quinolin-2-one is sourced from PubChem (CID 58966930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).