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

C9H6ClNO — CID 57098757

IUPAC6-chloro-3H-quinolin-2-one
SMILESO=C1CC=c2cc(Cl)ccc2=N1
InChIInChI=1S/C9H6ClNO/c10-7-2-3-8-6(5-7)1-4-9(12)11-8/h1-3,5H,4H2
InChIKeyUQVSSFWYDRBUPX-UHFFFAOYSA-N
MW179.61 g/mol
LogP0.67
Rot. Bonds

About 6-chloro-3H-quinolin-2-one

6-chloro-3H-quinolin-2-one (PubChem CID 57098757) has the molecular formula C9H6ClNO and a molecular weight of 179.61 g/mol. Its IUPAC name is 6-chloro-3H-quinolin-2-one.

Molecular Properties

Compound Name6-chloro-3H-quinolin-2-one
PubChem CID57098757
Molecular FormulaC9H6ClNO
Molecular Weight179.61 g/mol
Exact Mass179.01
IUPAC Name6-chloro-3H-quinolin-2-one
SMILESO=C1CC=c2cc(Cl)ccc2=N1
InChIInChI=1S/C9H6ClNO/c10-7-2-3-8-6(5-7)1-4-9(12)11-8/h1-3,5H,4H2
InChIKeyUQVSSFWYDRBUPX-UHFFFAOYSA-N
XLogP0.67
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 ≤ 50.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-Chloroindole-2-one
CID 20284810
6-Chloroindole-2-one
CID 46739848
Chloroquinolinequinone
CID 22646489
2,3-Dihydroquinolinone
CID 56625474
6-Chloroquinoxaline-2,3-dione
CID 70258835
Carbonyl quinolinone
CID 71302596
3-fluoro-3H-quinolin-2-one
CID 119086068
6H-quinolin-2-one
CID 19699059
3-Sulfanylidenequinolin-2-one
CID 22250100
3-Chloroquinolin-2-one
CID 57153084
6-chloro-3-methyl-3H-quinolin-2-one
CID 57222718
7,8-dihydro-3H-quinolin-2-one
CID 69650192

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3H-quinolin-2-one?
The IUPAC name of 6-chloro-3H-quinolin-2-one (CID 57098757) is 6-chloro-3H-quinolin-2-one.
What is the SMILES notation for 6-chloro-3H-quinolin-2-one?
The canonical SMILES for 6-chloro-3H-quinolin-2-one is O=C1CC=c2cc(Cl)ccc2=N1.
What is the InChIKey of 6-chloro-3H-quinolin-2-one?
The InChIKey is UQVSSFWYDRBUPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClNO/c10-7-2-3-8-6(5-7)1-4-9(12)11-8/h1-3,5H,4H2.
What are the key properties of 6-chloro-3H-quinolin-2-one?
6-chloro-3H-quinolin-2-one has a molecular weight of 179.61 g/mol, XLogP of 0.67, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3H-quinolin-2-one is sourced from PubChem (CID 57098757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).