6-chloro-5-hydroxy-3,4-dihydro-1H-quinolin-2-one

C9H8ClNO2 — CID 12899416

IUPAC6-chloro-5-hydroxy-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2c(ccc(Cl)c2O)N1
InChIInChI=1S/C9H8ClNO2/c10-6-2-3-7-5(9(6)13)1-4-8(12)11-7/h2-3,13H,1,4H2,(H,11,12)
InChIKeyZMIBZTLZZULMNT-UHFFFAOYSA-N
MW197.62 g/mol
LogP1.93
Rot. Bonds

About 6-chloro-5-hydroxy-3,4-dihydro-1H-quinolin-2-one

6-chloro-5-hydroxy-3,4-dihydro-1H-quinolin-2-one (PubChem CID 12899416) has the molecular formula C9H8ClNO2 and a molecular weight of 197.62 g/mol. Its IUPAC name is 6-chloro-5-hydroxy-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-chloro-5-hydroxy-3,4-dihydro-1H-quinolin-2-one
PubChem CID12899416
Molecular FormulaC9H8ClNO2
Molecular Weight197.62 g/mol
Exact Mass197.02
IUPAC Name6-chloro-5-hydroxy-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2c(ccc(Cl)c2O)N1
InChIInChI=1S/C9H8ClNO2/c10-6-2-3-7-5(9(6)13)1-4-8(12)11-7/h2-3,13H,1,4H2,(H,11,12)
InChIKeyZMIBZTLZZULMNT-UHFFFAOYSA-N
XLogP1.93
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.62
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 6-chloro-5-hydroxy-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

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-hydroxy-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-chloro-5-hydroxy-3,4-dihydro-1H-quinolin-2-one (CID 12899416) is 6-chloro-5-hydroxy-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-chloro-5-hydroxy-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-chloro-5-hydroxy-3,4-dihydro-1H-quinolin-2-one is O=C1CCc2c(ccc(Cl)c2O)N1.
What is the InChIKey of 6-chloro-5-hydroxy-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is ZMIBZTLZZULMNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClNO2/c10-6-2-3-7-5(9(6)13)1-4-8(12)11-7/h2-3,13H,1,4H2,(H,11,12).
What are the key properties of 6-chloro-5-hydroxy-3,4-dihydro-1H-quinolin-2-one?
6-chloro-5-hydroxy-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 197.62 g/mol, XLogP of 1.93, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-hydroxy-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 12899416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).