3-acetyl-6-chloro-1-methyl-4-phenylquinolin-2-one

C18H14ClNO2 — CID 1094283

IUPAC3-acetyl-6-chloro-1-methyl-4-phenylquinolin-2-one
SMILESCC(=O)c1c(-c2ccccc2)c2cc(Cl)ccc2n(C)c1=O
InChIInChI=1S/C18H14ClNO2/c1-11(21)16-17(12-6-4-3-5-7-12)14-10-13(19)8-9-15(14)20(2)18(16)22/h3-10H,1-2H3
InChIKeyKECXYNJOPPYALX-UHFFFAOYSA-N
MW311.77 g/mol
LogP4.06
Rot. Bonds2

About 3-acetyl-6-chloro-1-methyl-4-phenylquinolin-2-one

3-acetyl-6-chloro-1-methyl-4-phenylquinolin-2-one (PubChem CID 1094283) has the molecular formula C18H14ClNO2 and a molecular weight of 311.77 g/mol. Its IUPAC name is 3-acetyl-6-chloro-1-methyl-4-phenylquinolin-2-one.

Molecular Properties

Compound Name3-acetyl-6-chloro-1-methyl-4-phenylquinolin-2-one
PubChem CID1094283
Molecular FormulaC18H14ClNO2
Molecular Weight311.77 g/mol
Exact Mass311.07
IUPAC Name3-acetyl-6-chloro-1-methyl-4-phenylquinolin-2-one
SMILESCC(=O)c1c(-c2ccccc2)c2cc(Cl)ccc2n(C)c1=O
InChIInChI=1S/C18H14ClNO2/c1-11(21)16-17(12-6-4-3-5-7-12)14-10-13(19)8-9-15(14)20(2)18(16)22/h3-10H,1-2H3
InChIKeyKECXYNJOPPYALX-UHFFFAOYSA-N
XLogP4.06
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.77
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-acetyl-6-chloro-1-methyl-4-phenylquinolin-2-one?
The IUPAC name of 3-acetyl-6-chloro-1-methyl-4-phenylquinolin-2-one (CID 1094283) is 3-acetyl-6-chloro-1-methyl-4-phenylquinolin-2-one.
What is the SMILES notation for 3-acetyl-6-chloro-1-methyl-4-phenylquinolin-2-one?
The canonical SMILES for 3-acetyl-6-chloro-1-methyl-4-phenylquinolin-2-one is CC(=O)c1c(-c2ccccc2)c2cc(Cl)ccc2n(C)c1=O.
What is the InChIKey of 3-acetyl-6-chloro-1-methyl-4-phenylquinolin-2-one?
The InChIKey is KECXYNJOPPYALX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClNO2/c1-11(21)16-17(12-6-4-3-5-7-12)14-10-13(19)8-9-15(14)20(2)18(16)22/h3-10H,1-2H3.
What are the key properties of 3-acetyl-6-chloro-1-methyl-4-phenylquinolin-2-one?
3-acetyl-6-chloro-1-methyl-4-phenylquinolin-2-one has a molecular weight of 311.77 g/mol, XLogP of 4.06, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-6-chloro-1-methyl-4-phenylquinolin-2-one is sourced from PubChem (CID 1094283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).