8-chloro-3-[(4-chlorophenyl)methyl]-4-methyl-1H-quinolin-2-one

C17H13Cl2NO — CID 141173285

IUPAC8-chloro-3-[(4-chlorophenyl)methyl]-4-methyl-1H-quinolin-2-one
SMILESCc1c(Cc2ccc(Cl)cc2)c(=O)[nH]c2c(Cl)cccc12
InChIInChI=1S/C17H13Cl2NO/c1-10-13-3-2-4-15(19)16(13)20-17(21)14(10)9-11-5-7-12(18)8-6-11/h2-8H,9H2,1H3,(H,20,21)
InChIKeyROLKUAHWCDWGEZ-UHFFFAOYSA-N
MW318.20 g/mol
LogP4.73
Rot. Bonds2

About 8-chloro-3-[(4-chlorophenyl)methyl]-4-methyl-1H-quinolin-2-one

8-chloro-3-[(4-chlorophenyl)methyl]-4-methyl-1H-quinolin-2-one (PubChem CID 141173285) has the molecular formula C17H13Cl2NO and a molecular weight of 318.20 g/mol. Its IUPAC name is 8-chloro-3-[(4-chlorophenyl)methyl]-4-methyl-1H-quinolin-2-one.

Molecular Properties

Compound Name8-chloro-3-[(4-chlorophenyl)methyl]-4-methyl-1H-quinolin-2-one
PubChem CID141173285
Molecular FormulaC17H13Cl2NO
Molecular Weight318.20 g/mol
Exact Mass317.04
IUPAC Name8-chloro-3-[(4-chlorophenyl)methyl]-4-methyl-1H-quinolin-2-one
SMILESCc1c(Cc2ccc(Cl)cc2)c(=O)[nH]c2c(Cl)cccc12
InChIInChI=1S/C17H13Cl2NO/c1-10-13-3-2-4-15(19)16(13)20-17(21)14(10)9-11-5-7-12(18)8-6-11/h2-8H,9H2,1H3,(H,20,21)
InChIKeyROLKUAHWCDWGEZ-UHFFFAOYSA-N
XLogP4.73
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.20
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-3-[(4-chlorophenyl)methyl]-4-methyl-1H-quinolin-2-one?
The IUPAC name of 8-chloro-3-[(4-chlorophenyl)methyl]-4-methyl-1H-quinolin-2-one (CID 141173285) is 8-chloro-3-[(4-chlorophenyl)methyl]-4-methyl-1H-quinolin-2-one.
What is the SMILES notation for 8-chloro-3-[(4-chlorophenyl)methyl]-4-methyl-1H-quinolin-2-one?
The canonical SMILES for 8-chloro-3-[(4-chlorophenyl)methyl]-4-methyl-1H-quinolin-2-one is Cc1c(Cc2ccc(Cl)cc2)c(=O)[nH]c2c(Cl)cccc12.
What is the InChIKey of 8-chloro-3-[(4-chlorophenyl)methyl]-4-methyl-1H-quinolin-2-one?
The InChIKey is ROLKUAHWCDWGEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Cl2NO/c1-10-13-3-2-4-15(19)16(13)20-17(21)14(10)9-11-5-7-12(18)8-6-11/h2-8H,9H2,1H3,(H,20,21).
What are the key properties of 8-chloro-3-[(4-chlorophenyl)methyl]-4-methyl-1H-quinolin-2-one?
8-chloro-3-[(4-chlorophenyl)methyl]-4-methyl-1H-quinolin-2-one has a molecular weight of 318.20 g/mol, XLogP of 4.73, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-3-[(4-chlorophenyl)methyl]-4-methyl-1H-quinolin-2-one is sourced from PubChem (CID 141173285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).