4-(3-chlorophenyl)-1-methyl-3,4-dihydroquinolin-2-one

C16H14ClNO — CID 141006073

IUPAC4-(3-chlorophenyl)-1-methyl-3,4-dihydroquinolin-2-one
SMILESCN1C(=O)CC(c2cccc(Cl)c2)c2ccccc21
InChIInChI=1S/C16H14ClNO/c1-18-15-8-3-2-7-13(15)14(10-16(18)19)11-5-4-6-12(17)9-11/h2-9,14H,10H2,1H3
InChIKeyKUBJMFGVZDKHRE-UHFFFAOYSA-N
MW271.75 g/mol
LogP3.84
Rot. Bonds1

About 4-(3-chlorophenyl)-1-methyl-3,4-dihydroquinolin-2-one

4-(3-chlorophenyl)-1-methyl-3,4-dihydroquinolin-2-one (PubChem CID 141006073) has the molecular formula C16H14ClNO and a molecular weight of 271.75 g/mol. Its IUPAC name is 4-(3-chlorophenyl)-1-methyl-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name4-(3-chlorophenyl)-1-methyl-3,4-dihydroquinolin-2-one
PubChem CID141006073
Molecular FormulaC16H14ClNO
Molecular Weight271.75 g/mol
Exact Mass271.08
IUPAC Name4-(3-chlorophenyl)-1-methyl-3,4-dihydroquinolin-2-one
SMILESCN1C(=O)CC(c2cccc(Cl)c2)c2ccccc21
InChIInChI=1S/C16H14ClNO/c1-18-15-8-3-2-7-13(15)14(10-16(18)19)11-5-4-6-12(17)9-11/h2-9,14H,10H2,1H3
InChIKeyKUBJMFGVZDKHRE-UHFFFAOYSA-N
XLogP3.84
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.75
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 18675452
(3S)-1-amino-3-(3-chlorophenyl)pyrrolidine-2,5-dione
CID 98170662
(3R)-1-benzyl-3-(3-chlorophenyl)pyrrolidine-2,5-dione
CID 53474672
3-(3-chlorophenyl)-1-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]pyrrolidine-2,5-dione
CID 46854841
4-(3-chlorophenyl)-3,4-dihydro-1H-naphthalen-2-imine
CID 57273771
(3S)-3-(3-chlorophenyl)-1-cyclohexylpyrrolidine-2,5-dione
CID 101349866
(1R,3S)-1-chloro-3-(3-chlorophenyl)-2,3-dihydro-1H-indene
CID 129405682
(1R,3R)-1-chloro-3-(3-chlorophenyl)-2,3-dihydro-1H-indene
CID 129405683
(4S)-4-(3-chlorophenyl)-6,7-dimethyl-3,4-dihydro-1H-quinolin-2-one
CID 673218
(3S)-3-(3-bromophenyl)-1-methylpyrrolidine-2,5-dione
CID 98056157
4-(3-chlorophenyl)-1-(2,3-dimethylphenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
CID 23802296
4-[(2-fluorophenyl)methylamino]-1-methyl-3,4-dihydroquinolin-2-one
CID 43763715

Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)-1-methyl-3,4-dihydroquinolin-2-one?
The IUPAC name of 4-(3-chlorophenyl)-1-methyl-3,4-dihydroquinolin-2-one (CID 141006073) is 4-(3-chlorophenyl)-1-methyl-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 4-(3-chlorophenyl)-1-methyl-3,4-dihydroquinolin-2-one?
The canonical SMILES for 4-(3-chlorophenyl)-1-methyl-3,4-dihydroquinolin-2-one is CN1C(=O)CC(c2cccc(Cl)c2)c2ccccc21.
What is the InChIKey of 4-(3-chlorophenyl)-1-methyl-3,4-dihydroquinolin-2-one?
The InChIKey is KUBJMFGVZDKHRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClNO/c1-18-15-8-3-2-7-13(15)14(10-16(18)19)11-5-4-6-12(17)9-11/h2-9,14H,10H2,1H3.
What are the key properties of 4-(3-chlorophenyl)-1-methyl-3,4-dihydroquinolin-2-one?
4-(3-chlorophenyl)-1-methyl-3,4-dihydroquinolin-2-one has a molecular weight of 271.75 g/mol, XLogP of 3.84, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenyl)-1-methyl-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 141006073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).