4-bromo-4aH-quinolin-2-one

C9H6BrNO — CID 71303285

IUPAC4-bromo-4aH-quinolin-2-one
SMILESO=C1C=C(Br)C2C=CC=CC2=N1
InChIInChI=1S/C9H6BrNO/c10-7-5-9(12)11-8-4-2-1-3-6(7)8/h1-6H
InChIKeyMLTJGILLRNBHMK-UHFFFAOYSA-N
MW224.06 g/mol
LogP1.99
Rot. Bonds

About 4-bromo-4aH-quinolin-2-one

4-bromo-4aH-quinolin-2-one (PubChem CID 71303285) has the molecular formula C9H6BrNO and a molecular weight of 224.06 g/mol. Its IUPAC name is 4-bromo-4aH-quinolin-2-one.

Molecular Properties

Compound Name4-bromo-4aH-quinolin-2-one
PubChem CID71303285
Molecular FormulaC9H6BrNO
Molecular Weight224.06 g/mol
Exact Mass222.96
IUPAC Name4-bromo-4aH-quinolin-2-one
SMILESO=C1C=C(Br)C2C=CC=CC2=N1
InChIInChI=1S/C9H6BrNO/c10-7-5-9(12)11-8-4-2-1-3-6(7)8/h1-6H
InChIKeyMLTJGILLRNBHMK-UHFFFAOYSA-N
XLogP1.99
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 ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-amino-3-(2-oxo-4aH-quinolin-4-yl)propanoic acid;dihydrate;dihydrochloride
CID 75110755
2-(4-bromophenyl)-4aH-quinolin-4-one
CID 74601109
2-[(4-oxo-4aH-quinazolin-2-yl)methoxy]acetic acid
CID 74456136
2-ethoxy-4aH-quinazolin-4-one
CID 78203567
2-heptyl-4aH-quinolin-4-one
CID 78178442
2-(4-fluorophenyl)-4aH-quinazolin-4-one
CID 78213954
3-(2-chloroethyl)-4aH-quinazoline-2,4-dione
CID 71650918
CID 72824698
CID 72824698
4-[4-(4-fluorophenyl)sulfonylpiperazine-1-carbonyl]-4aH-quinolin-2-one
CID 78563528
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-oxo-4aH-quinoline-4-carboxamide
CID 75134694
11-methyl-12aH-quinolino[2,3-b]quinolin-12-one
CID 75297918
1-(4-oxo-4aH-quinazolin-2-yl)piperidine-4-carboxylic acid
CID 74552542

Frequently Asked Questions

What is the IUPAC name of 4-bromo-4aH-quinolin-2-one?
The IUPAC name of 4-bromo-4aH-quinolin-2-one (CID 71303285) is 4-bromo-4aH-quinolin-2-one.
What is the SMILES notation for 4-bromo-4aH-quinolin-2-one?
The canonical SMILES for 4-bromo-4aH-quinolin-2-one is O=C1C=C(Br)C2C=CC=CC2=N1.
What is the InChIKey of 4-bromo-4aH-quinolin-2-one?
The InChIKey is MLTJGILLRNBHMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrNO/c10-7-5-9(12)11-8-4-2-1-3-6(7)8/h1-6H.
What are the key properties of 4-bromo-4aH-quinolin-2-one?
4-bromo-4aH-quinolin-2-one has a molecular weight of 224.06 g/mol, XLogP of 1.99, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-4aH-quinolin-2-one is sourced from PubChem (CID 71303285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).