4-(4-chlorobenzoyl)-1-ethylquinolin-2-one

C18H14ClNO2 — CID 134910716

IUPAC4-(4-chlorobenzoyl)-1-ethylquinolin-2-one
SMILESCCn1c(=O)cc(C(=O)c2ccc(Cl)cc2)c2ccccc21
InChIInChI=1S/C18H14ClNO2/c1-2-20-16-6-4-3-5-14(16)15(11-17(20)21)18(22)12-7-9-13(19)10-8-12/h3-11H,2H2,1H3
InChIKeyLQZWKGIEYSGGKE-UHFFFAOYSA-N
MW311.77 g/mol
LogP3.91
Rot. Bonds3

About 4-(4-chlorobenzoyl)-1-ethylquinolin-2-one

4-(4-chlorobenzoyl)-1-ethylquinolin-2-one (PubChem CID 134910716) has the molecular formula C18H14ClNO2 and a molecular weight of 311.77 g/mol. Its IUPAC name is 4-(4-chlorobenzoyl)-1-ethylquinolin-2-one.

Molecular Properties

Compound Name4-(4-chlorobenzoyl)-1-ethylquinolin-2-one
PubChem CID134910716
Molecular FormulaC18H14ClNO2
Molecular Weight311.77 g/mol
Exact Mass311.07
IUPAC Name4-(4-chlorobenzoyl)-1-ethylquinolin-2-one
SMILESCCn1c(=O)cc(C(=O)c2ccc(Cl)cc2)c2ccccc21
InChIInChI=1S/C18H14ClNO2/c1-2-20-16-6-4-3-5-14(16)15(11-17(20)21)18(22)12-7-9-13(19)10-8-12/h3-11H,2H2,1H3
InChIKeyLQZWKGIEYSGGKE-UHFFFAOYSA-N
XLogP3.91
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.77
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-benzoyl-6-chloro-1-[(2,4,6-trimethylphenyl)methyl]quinolin-2-one
CID 132850354
(9-ethylcarbazol-3-yl)-(2-ethylphenyl)methanone
CID 141364067
9-ethylcarbazole-3-carboxylic acid
CID 4912869
1-[(4-chlorophenyl)methyl]-N-[(4-fluorophenyl)methyl]-2-oxoquinoline-4-carboxamide
CID 3642555
4-chloro-N-[(9-ethylcarbazol-3-yl)methylideneamino]benzamide
CID 4508320
9-ethylcarbazole-3-carboxylate
CID 7148416
(6-deuterio-9-ethylcarbazol-3-yl)-(2-methylphenyl)methanone
CID 175814606
[4-[bis(9-ethylcarbazol-3-yl)amino]phenyl]-phenylmethanone
CID 177399395
diethyl 1-ethyl-2-oxoquinoline-4,6-dicarboxylate
CID 11359009
1-(2-ethoxyethyl)-2-oxoquinoline-4-carboxylic acid
CID 62041809
1-(2-methylsulfanylethyl)-2-oxoquinoline-4-carboxylic acid
CID 113473792
1-(3-methylbut-2-enyl)-2-oxoquinoline-4-carboxylic acid
CID 62041152

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorobenzoyl)-1-ethylquinolin-2-one?
The IUPAC name of 4-(4-chlorobenzoyl)-1-ethylquinolin-2-one (CID 134910716) is 4-(4-chlorobenzoyl)-1-ethylquinolin-2-one.
What is the SMILES notation for 4-(4-chlorobenzoyl)-1-ethylquinolin-2-one?
The canonical SMILES for 4-(4-chlorobenzoyl)-1-ethylquinolin-2-one is CCn1c(=O)cc(C(=O)c2ccc(Cl)cc2)c2ccccc21.
What is the InChIKey of 4-(4-chlorobenzoyl)-1-ethylquinolin-2-one?
The InChIKey is LQZWKGIEYSGGKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClNO2/c1-2-20-16-6-4-3-5-14(16)15(11-17(20)21)18(22)12-7-9-13(19)10-8-12/h3-11H,2H2,1H3.
What are the key properties of 4-(4-chlorobenzoyl)-1-ethylquinolin-2-one?
4-(4-chlorobenzoyl)-1-ethylquinolin-2-one has a molecular weight of 311.77 g/mol, XLogP of 3.91, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorobenzoyl)-1-ethylquinolin-2-one is sourced from PubChem (CID 134910716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).