3-chloro-4-hydroxy-4aH-quinolin-2-one

C9H6ClNO2 — CID 71302937

IUPAC3-chloro-4-hydroxy-4aH-quinolin-2-one
SMILESO=C1N=C2C=CC=CC2C(O)=C1Cl
InChIInChI=1S/C9H6ClNO2/c10-7-8(12)5-3-1-2-4-6(5)11-9(7)13/h1-5,12H
InChIKeyVSFXHUDIKRYMAU-UHFFFAOYSA-N
MW195.61 g/mol
LogP1.72
Rot. Bonds

About 3-chloro-4-hydroxy-4aH-quinolin-2-one

3-chloro-4-hydroxy-4aH-quinolin-2-one (PubChem CID 71302937) has the molecular formula C9H6ClNO2 and a molecular weight of 195.61 g/mol. Its IUPAC name is 3-chloro-4-hydroxy-4aH-quinolin-2-one.

Molecular Properties

Compound Name3-chloro-4-hydroxy-4aH-quinolin-2-one
PubChem CID71302937
Molecular FormulaC9H6ClNO2
Molecular Weight195.61 g/mol
Exact Mass195.01
IUPAC Name3-chloro-4-hydroxy-4aH-quinolin-2-one
SMILESO=C1N=C2C=CC=CC2C(O)=C1Cl
InChIInChI=1S/C9H6ClNO2/c10-7-8(12)5-3-1-2-4-6(5)11-9(7)13/h1-5,12H
InChIKeyVSFXHUDIKRYMAU-UHFFFAOYSA-N
XLogP1.72
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.61
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7-fluoro-4-hydroxy-4aH-quinolin-2-one
CID 76212534
5,7-dichloro-8-hydroxy-4aH-quinolin-2-one
CID 45024050
4-hydroxy-4aH-quinolin-2-one
CID 71303372
6-bromo-4-hydroxy-4aH-quinolin-2-one
CID 71650441
2-Hydroxy-7-methylquinolin-4(4aH)-one
CID 72218615
4-hydroxy-3-methyl-4aH-quinolin-2-one
CID 72493337
3-chloro-4aH-quinolin-2-one
CID 72733609
8-hydroxy-4aH-quinolin-2-one
CID 73629614
4-hydroxy-5-methoxy-4aH-quinolin-2-one
CID 75679357
4-hydroxy-5,7-dimethyl-4aH-quinolin-2-one
CID 75837145
3-bromo-4-hydroxy-4aH-quinolin-2-one
CID 76169157
3-ethyl-4-hydroxy-4aH-quinolin-2-one
CID 76169870

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-hydroxy-4aH-quinolin-2-one?
The IUPAC name of 3-chloro-4-hydroxy-4aH-quinolin-2-one (CID 71302937) is 3-chloro-4-hydroxy-4aH-quinolin-2-one.
What is the SMILES notation for 3-chloro-4-hydroxy-4aH-quinolin-2-one?
The canonical SMILES for 3-chloro-4-hydroxy-4aH-quinolin-2-one is O=C1N=C2C=CC=CC2C(O)=C1Cl.
What is the InChIKey of 3-chloro-4-hydroxy-4aH-quinolin-2-one?
The InChIKey is VSFXHUDIKRYMAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClNO2/c10-7-8(12)5-3-1-2-4-6(5)11-9(7)13/h1-5,12H.
What are the key properties of 3-chloro-4-hydroxy-4aH-quinolin-2-one?
3-chloro-4-hydroxy-4aH-quinolin-2-one has a molecular weight of 195.61 g/mol, XLogP of 1.72, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-hydroxy-4aH-quinolin-2-one is sourced from PubChem (CID 71302937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).