2-acetyl-7-chloro-1-phenylquinolin-4-one

C17H12ClNO2 — CID 142701712

IUPAC2-acetyl-7-chloro-1-phenylquinolin-4-one
SMILESCC(=O)c1cc(=O)c2ccc(Cl)cc2n1-c1ccccc1
InChIInChI=1S/C17H12ClNO2/c1-11(20)15-10-17(21)14-8-7-12(18)9-16(14)19(15)13-5-3-2-4-6-13/h2-10H,1H3
InChIKeyIMCUIHZRRLISSU-UHFFFAOYSA-N
MW297.74 g/mol
LogP3.85
Rot. Bonds2

About 2-acetyl-7-chloro-1-phenylquinolin-4-one

2-acetyl-7-chloro-1-phenylquinolin-4-one (PubChem CID 142701712) has the molecular formula C17H12ClNO2 and a molecular weight of 297.74 g/mol. Its IUPAC name is 2-acetyl-7-chloro-1-phenylquinolin-4-one.

Molecular Properties

Compound Name2-acetyl-7-chloro-1-phenylquinolin-4-one
PubChem CID142701712
Molecular FormulaC17H12ClNO2
Molecular Weight297.74 g/mol
Exact Mass297.06
IUPAC Name2-acetyl-7-chloro-1-phenylquinolin-4-one
SMILESCC(=O)c1cc(=O)c2ccc(Cl)cc2n1-c1ccccc1
InChIInChI=1S/C17H12ClNO2/c1-11(20)15-10-17(21)14-8-7-12(18)9-16(14)19(15)13-5-3-2-4-6-13/h2-10H,1H3
InChIKeyIMCUIHZRRLISSU-UHFFFAOYSA-N
XLogP3.85
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.74
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-amino-7-chloro-2-oxo-1-phenylquinoline-3-carboxylate
CID 169207153
5-chloro-1,3-diphenylbenzimidazol-2-one
CID 3061785
methyl 7-chloro-3-ethyl-4-oxo-1-phenylquinoline-2-carboxylate
CID 118601550
2-chloro-9-phenyl-6-(9-phenylcarbazol-2-yl)carbazole
CID 152827310
7-chloro-10-phenyl-14,21-dioxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene
CID 145390303
1-(5,6-dimethoxy-1-phenylindol-2-yl)ethanone
CID 138857566
2-(2-chlorocarbazol-9-yl)benzoic acid
CID 22075911
2-(3-chlorophenyl)-1-phenylquinolin-4-one
CID 102171684
(7-chloro-2-methoxycarbonyl-4-oxo-1-phenylquinolin-3-yl)methylimino-iminoazanium
CID 123768763
ethyl 3-benzyl-7-chloro-4-oxo-1-phenylquinoline-2-carboxylate
CID 59846219
6-chloro-2-fluoro-9-phenylcarbazole
CID 142744719
methyl 3-[(4-acetamidophenyl)methyl]-7-chloro-4-oxo-1-phenylquinoline-2-carboxylate
CID 59846264

Frequently Asked Questions

What is the IUPAC name of 2-acetyl-7-chloro-1-phenylquinolin-4-one?
The IUPAC name of 2-acetyl-7-chloro-1-phenylquinolin-4-one (CID 142701712) is 2-acetyl-7-chloro-1-phenylquinolin-4-one.
What is the SMILES notation for 2-acetyl-7-chloro-1-phenylquinolin-4-one?
The canonical SMILES for 2-acetyl-7-chloro-1-phenylquinolin-4-one is CC(=O)c1cc(=O)c2ccc(Cl)cc2n1-c1ccccc1.
What is the InChIKey of 2-acetyl-7-chloro-1-phenylquinolin-4-one?
The InChIKey is IMCUIHZRRLISSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClNO2/c1-11(20)15-10-17(21)14-8-7-12(18)9-16(14)19(15)13-5-3-2-4-6-13/h2-10H,1H3.
What are the key properties of 2-acetyl-7-chloro-1-phenylquinolin-4-one?
2-acetyl-7-chloro-1-phenylquinolin-4-one has a molecular weight of 297.74 g/mol, XLogP of 3.85, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetyl-7-chloro-1-phenylquinolin-4-one is sourced from PubChem (CID 142701712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).