6-chloro-3,4-dihydro-1H-quinolin-2-one

C9H8ClNO — CID 11240825

IUPAC6-chloro-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(Cl)ccc2N1
InChIInChI=1S/C9H8ClNO/c10-7-2-3-8-6(5-7)1-4-9(12)11-8/h2-3,5H,1,4H2,(H,11,12)
InChIKeyQKDOVTGWTBEYMG-UHFFFAOYSA-N
MW181.62 g/mol
LogP2.22
Rot. Bonds

About 6-chloro-3,4-dihydro-1H-quinolin-2-one

6-chloro-3,4-dihydro-1H-quinolin-2-one (PubChem CID 11240825) has the molecular formula C9H8ClNO and a molecular weight of 181.62 g/mol. Its IUPAC name is 6-chloro-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-chloro-3,4-dihydro-1H-quinolin-2-one
PubChem CID11240825
Molecular FormulaC9H8ClNO
Molecular Weight181.62 g/mol
Exact Mass181.03
IUPAC Name6-chloro-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(Cl)ccc2N1
InChIInChI=1S/C9H8ClNO/c10-7-2-3-8-6(5-7)1-4-9(12)11-8/h2-3,5H,1,4H2,(H,11,12)
InChIKeyQKDOVTGWTBEYMG-UHFFFAOYSA-N
XLogP2.22
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.62
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 6-chloro-3,4-dihydro-1H-quinolin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-chloro-3,4-dihydro-1H-quinolin-2-one;ethyl acetate
CID 161287321
1-(4-chlorophenyl)-3-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)urea
CID 30375883
6-[(2-bromo-4-chlorophenyl)-chloromethyl]-3,4-dihydro-1H-quinolin-2-one
CID 107991468
6-[(4-chloro-2-fluorophenyl)methylamino]-3,4-dihydro-1H-quinolin-2-one
CID 114841931
N-(4-chlorophenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 3647907
6-[2-(aminomethyl)-4-chlorophenoxy]-3,4-dihydro-1H-quinolin-2-one
CID 62493675
5-chloro-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]benzonitrile
CID 62492902
6-[(3-chlorophenyl)-(methylamino)methyl]-3,4-dihydro-1H-quinolin-2-one
CID 43483923
6-[(3-chlorophenyl)methoxy]-3,4-dihydro-1H-quinolin-2-one
CID 47420565
1,4-dichlorobenzene;6-(4-sulfanylbutoxy)-3,4-dihydro-1H-quinolin-2-one
CID 88753256
6-(diaminomethyl)-3,4-dihydro-1H-quinolin-2-one
CID 116939160
(2-oxo-3,4-dihydro-1H-quinolin-6-yl)boronic acid
CID 59763201

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-chloro-3,4-dihydro-1H-quinolin-2-one (CID 11240825) is 6-chloro-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-chloro-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-chloro-3,4-dihydro-1H-quinolin-2-one is O=C1CCc2cc(Cl)ccc2N1.
What is the InChIKey of 6-chloro-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is QKDOVTGWTBEYMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClNO/c10-7-2-3-8-6(5-7)1-4-9(12)11-8/h2-3,5H,1,4H2,(H,11,12).
What are the key properties of 6-chloro-3,4-dihydro-1H-quinolin-2-one?
6-chloro-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 181.62 g/mol, XLogP of 2.22, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 11240825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).