6-(3-chlorophenyl)-4-methyl-1H-quinolin-2-one

C16H12ClNO — CID 22279011

IUPAC6-(3-chlorophenyl)-4-methyl-1H-quinolin-2-one
SMILESCc1cc(=O)[nH]c2ccc(-c3cccc(Cl)c3)cc12
InChIInChI=1S/C16H12ClNO/c1-10-7-16(19)18-15-6-5-12(9-14(10)15)11-3-2-4-13(17)8-11/h2-9H,1H3,(H,18,19)
InChIKeyPVOYLPAZZJGXTI-UHFFFAOYSA-N
MW269.73 g/mol
LogP4.16
Rot. Bonds1

About 6-(3-chlorophenyl)-4-methyl-1H-quinolin-2-one

6-(3-chlorophenyl)-4-methyl-1H-quinolin-2-one (PubChem CID 22279011) has the molecular formula C16H12ClNO and a molecular weight of 269.73 g/mol. Its IUPAC name is 6-(3-chlorophenyl)-4-methyl-1H-quinolin-2-one.

Molecular Properties

Compound Name6-(3-chlorophenyl)-4-methyl-1H-quinolin-2-one
PubChem CID22279011
Molecular FormulaC16H12ClNO
Molecular Weight269.73 g/mol
Exact Mass269.06
IUPAC Name6-(3-chlorophenyl)-4-methyl-1H-quinolin-2-one
SMILESCc1cc(=O)[nH]c2ccc(-c3cccc(Cl)c3)cc12
InChIInChI=1S/C16H12ClNO/c1-10-7-16(19)18-15-6-5-12(9-14(10)15)11-3-2-4-13(17)8-11/h2-9H,1H3,(H,18,19)
InChIKeyPVOYLPAZZJGXTI-UHFFFAOYSA-N
XLogP4.16
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.73
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-(3-chlorophenyl)-4-methyl-1H-quinolin-2-one?
The IUPAC name of 6-(3-chlorophenyl)-4-methyl-1H-quinolin-2-one (CID 22279011) is 6-(3-chlorophenyl)-4-methyl-1H-quinolin-2-one.
What is the SMILES notation for 6-(3-chlorophenyl)-4-methyl-1H-quinolin-2-one?
The canonical SMILES for 6-(3-chlorophenyl)-4-methyl-1H-quinolin-2-one is Cc1cc(=O)[nH]c2ccc(-c3cccc(Cl)c3)cc12.
What is the InChIKey of 6-(3-chlorophenyl)-4-methyl-1H-quinolin-2-one?
The InChIKey is PVOYLPAZZJGXTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClNO/c1-10-7-16(19)18-15-6-5-12(9-14(10)15)11-3-2-4-13(17)8-11/h2-9H,1H3,(H,18,19).
What are the key properties of 6-(3-chlorophenyl)-4-methyl-1H-quinolin-2-one?
6-(3-chlorophenyl)-4-methyl-1H-quinolin-2-one has a molecular weight of 269.73 g/mol, XLogP of 4.16, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-chlorophenyl)-4-methyl-1H-quinolin-2-one is sourced from PubChem (CID 22279011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).