3-chloro-3H-quinolin-2-one

C9H6ClNO — CID 57153084

IUPAC3-chloro-3H-quinolin-2-one
SMILESO=C1N=c2ccccc2=CC1Cl
InChIInChI=1S/C9H6ClNO/c10-7-5-6-3-1-2-4-8(6)11-9(7)12/h1-5,7H
InChIKeyPSNJXLCNKFXBHR-UHFFFAOYSA-N
MW179.61 g/mol
LogP0.23
Rot. Bonds

About 3-chloro-3H-quinolin-2-one

3-chloro-3H-quinolin-2-one (PubChem CID 57153084) has the molecular formula C9H6ClNO and a molecular weight of 179.61 g/mol. Its IUPAC name is 3-chloro-3H-quinolin-2-one.

Molecular Properties

Compound Name3-chloro-3H-quinolin-2-one
PubChem CID57153084
Molecular FormulaC9H6ClNO
Molecular Weight179.61 g/mol
Exact Mass179.01
IUPAC Name3-chloro-3H-quinolin-2-one
SMILESO=C1N=c2ccccc2=CC1Cl
InChIInChI=1S/C9H6ClNO/c10-7-5-6-3-1-2-4-8(6)11-9(7)12/h1-5,7H
InChIKeyPSNJXLCNKFXBHR-UHFFFAOYSA-N
XLogP0.23
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.61
LogP ≤ 50.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-3H-quinolin-2-one?
The IUPAC name of 3-chloro-3H-quinolin-2-one (CID 57153084) is 3-chloro-3H-quinolin-2-one.
What is the SMILES notation for 3-chloro-3H-quinolin-2-one?
The canonical SMILES for 3-chloro-3H-quinolin-2-one is O=C1N=c2ccccc2=CC1Cl.
What is the InChIKey of 3-chloro-3H-quinolin-2-one?
The InChIKey is PSNJXLCNKFXBHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClNO/c10-7-5-6-3-1-2-4-8(6)11-9(7)12/h1-5,7H.
What are the key properties of 3-chloro-3H-quinolin-2-one?
3-chloro-3H-quinolin-2-one has a molecular weight of 179.61 g/mol, XLogP of 0.23, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-3H-quinolin-2-one is sourced from PubChem (CID 57153084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).