3-acetyl-4-(4-chlorophenyl)-1H-quinolin-2-one

C17H12ClNO2 — CID 2872496

IUPAC3-acetyl-4-(4-chlorophenyl)-1H-quinolin-2-one
SMILESCC(=O)c1c(-c2ccc(Cl)cc2)c2ccccc2[nH]c1=O
InChIInChI=1S/C17H12ClNO2/c1-10(20)15-16(11-6-8-12(18)9-7-11)13-4-2-3-5-14(13)19-17(15)21/h2-9H,1H3,(H,19,21)
InChIKeyOVOXOECEWKGQRE-UHFFFAOYSA-N
MW297.74 g/mol
LogP4.05
Rot. Bonds2

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

3-acetyl-4-(4-chlorophenyl)-1H-quinolin-2-one (PubChem CID 2872496) has the molecular formula C17H12ClNO2 and a molecular weight of 297.74 g/mol. Its IUPAC name is 3-acetyl-4-(4-chlorophenyl)-1H-quinolin-2-one.

Molecular Properties

Compound Name3-acetyl-4-(4-chlorophenyl)-1H-quinolin-2-one
PubChem CID2872496
Molecular FormulaC17H12ClNO2
Molecular Weight297.74 g/mol
Exact Mass297.06
IUPAC Name3-acetyl-4-(4-chlorophenyl)-1H-quinolin-2-one
SMILESCC(=O)c1c(-c2ccc(Cl)cc2)c2ccccc2[nH]c1=O
InChIInChI=1S/C17H12ClNO2/c1-10(20)15-16(11-6-8-12(18)9-7-11)13-4-2-3-5-14(13)19-17(15)21/h2-9H,1H3,(H,19,21)
InChIKeyOVOXOECEWKGQRE-UHFFFAOYSA-N
XLogP4.05
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.74
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-acetyl-4-(4-chlorophenyl)-1H-quinolin-2-one?
The IUPAC name of 3-acetyl-4-(4-chlorophenyl)-1H-quinolin-2-one (CID 2872496) is 3-acetyl-4-(4-chlorophenyl)-1H-quinolin-2-one.
What is the SMILES notation for 3-acetyl-4-(4-chlorophenyl)-1H-quinolin-2-one?
The canonical SMILES for 3-acetyl-4-(4-chlorophenyl)-1H-quinolin-2-one is CC(=O)c1c(-c2ccc(Cl)cc2)c2ccccc2[nH]c1=O.
What is the InChIKey of 3-acetyl-4-(4-chlorophenyl)-1H-quinolin-2-one?
The InChIKey is OVOXOECEWKGQRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClNO2/c1-10(20)15-16(11-6-8-12(18)9-7-11)13-4-2-3-5-14(13)19-17(15)21/h2-9H,1H3,(H,19,21).
What are the key properties of 3-acetyl-4-(4-chlorophenyl)-1H-quinolin-2-one?
3-acetyl-4-(4-chlorophenyl)-1H-quinolin-2-one has a molecular weight of 297.74 g/mol, XLogP of 4.05, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-4-(4-chlorophenyl)-1H-quinolin-2-one is sourced from PubChem (CID 2872496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).