5,6-dichloro-8-hydroxy-3,4-dihydro-1H-quinolin-2-one

C9H7Cl2NO2 — CID 12899435

IUPAC5,6-dichloro-8-hydroxy-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2c(Cl)c(Cl)cc(O)c2N1
InChIInChI=1S/C9H7Cl2NO2/c10-5-3-6(13)9-4(8(5)11)1-2-7(14)12-9/h3,13H,1-2H2,(H,12,14)
InChIKeyBHKLXNQHJJHUCF-UHFFFAOYSA-N
MW232.07 g/mol
LogP2.58
Rot. Bonds

About 5,6-dichloro-8-hydroxy-3,4-dihydro-1H-quinolin-2-one

5,6-dichloro-8-hydroxy-3,4-dihydro-1H-quinolin-2-one (PubChem CID 12899435) has the molecular formula C9H7Cl2NO2 and a molecular weight of 232.07 g/mol. Its IUPAC name is 5,6-dichloro-8-hydroxy-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name5,6-dichloro-8-hydroxy-3,4-dihydro-1H-quinolin-2-one
PubChem CID12899435
Molecular FormulaC9H7Cl2NO2
Molecular Weight232.07 g/mol
Exact Mass230.99
IUPAC Name5,6-dichloro-8-hydroxy-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2c(Cl)c(Cl)cc(O)c2N1
InChIInChI=1S/C9H7Cl2NO2/c10-5-3-6(13)9-4(8(5)11)1-2-7(14)12-9/h3,13H,1-2H2,(H,12,14)
InChIKeyBHKLXNQHJJHUCF-UHFFFAOYSA-N
XLogP2.58
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.07
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

Analyze 5,6-dichloro-8-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 5,6-dichloro-8-hydroxy-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 5,6-dichloro-8-hydroxy-3,4-dihydro-1H-quinolin-2-one (CID 12899435) is 5,6-dichloro-8-hydroxy-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 5,6-dichloro-8-hydroxy-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 5,6-dichloro-8-hydroxy-3,4-dihydro-1H-quinolin-2-one is O=C1CCc2c(Cl)c(Cl)cc(O)c2N1.
What is the InChIKey of 5,6-dichloro-8-hydroxy-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is BHKLXNQHJJHUCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7Cl2NO2/c10-5-3-6(13)9-4(8(5)11)1-2-7(14)12-9/h3,13H,1-2H2,(H,12,14).
What are the key properties of 5,6-dichloro-8-hydroxy-3,4-dihydro-1H-quinolin-2-one?
5,6-dichloro-8-hydroxy-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 232.07 g/mol, XLogP of 2.58, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-8-hydroxy-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 12899435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).