3-bromo-3H-quinolin-2-one

C9H6BrNO — CID 71650371

IUPAC3-bromo-3H-quinolin-2-one
SMILESO=C1N=c2ccccc2=CC1Br
InChIInChI=1S/C9H6BrNO/c10-7-5-6-3-1-2-4-8(6)11-9(7)12/h1-5,7H
InChIKeyIMZTUKHPQVIKIR-UHFFFAOYSA-N
MW224.06 g/mol
LogP0.39
Rot. Bonds

About 3-bromo-3H-quinolin-2-one

3-bromo-3H-quinolin-2-one (PubChem CID 71650371) has the molecular formula C9H6BrNO and a molecular weight of 224.06 g/mol. Its IUPAC name is 3-bromo-3H-quinolin-2-one.

Molecular Properties

Compound Name3-bromo-3H-quinolin-2-one
PubChem CID71650371
Molecular FormulaC9H6BrNO
Molecular Weight224.06 g/mol
Exact Mass222.96
IUPAC Name3-bromo-3H-quinolin-2-one
SMILESO=C1N=c2ccccc2=CC1Br
InChIInChI=1S/C9H6BrNO/c10-7-5-6-3-1-2-4-8(6)11-9(7)12/h1-5,7H
InChIKeyIMZTUKHPQVIKIR-UHFFFAOYSA-N
XLogP0.39
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.06
LogP ≤ 50.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,3-Dihydroquinolinone
CID 56625474
3-fluoro-3H-quinolin-2-one
CID 119086068
8-Bromo-7-fluoroquinolin-2(3H)-one
CID 91844756
7-Bromoquinoline-2,3-dione
CID 22597669
6-bromo-7,8-dihydro-3H-quinolin-2-one
CID 69104978
7-bromo-7,8-dihydro-3H-quinolin-2-one
CID 118255570
6-bromo-3H-quinolin-2-one
CID 123719254
4-Bromoquinoline-2,3-dione
CID 129703700
7-bromo-6-chloro-3H-quinolin-2-one
CID 141078460
3-Selanylidenequinolin-2-one
CID 154492779
7-Bromo-3-(oxomethylidene)quinolin-2-one
CID 45025930
6-Bromo-3-(oxomethylidene)quinolin-2-one
CID 45025931

Frequently Asked Questions

What is the IUPAC name of 3-bromo-3H-quinolin-2-one?
The IUPAC name of 3-bromo-3H-quinolin-2-one (CID 71650371) is 3-bromo-3H-quinolin-2-one.
What is the SMILES notation for 3-bromo-3H-quinolin-2-one?
The canonical SMILES for 3-bromo-3H-quinolin-2-one is O=C1N=c2ccccc2=CC1Br.
What is the InChIKey of 3-bromo-3H-quinolin-2-one?
The InChIKey is IMZTUKHPQVIKIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrNO/c10-7-5-6-3-1-2-4-8(6)11-9(7)12/h1-5,7H.
What are the key properties of 3-bromo-3H-quinolin-2-one?
3-bromo-3H-quinolin-2-one has a molecular weight of 224.06 g/mol, XLogP of 0.39, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-3H-quinolin-2-one is sourced from PubChem (CID 71650371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).