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

C9H6BrNO — CID 71650442

IUPAC6-bromo-4aH-quinolin-2-one
SMILESO=C1C=CC2C=C(Br)C=CC2=N1
InChIInChI=1S/C9H6BrNO/c10-7-2-3-8-6(5-7)1-4-9(12)11-8/h1-6H
InChIKeyZEPHRFHHSMUZME-UHFFFAOYSA-N
MW224.06 g/mol
LogP1.99
Rot. Bonds

About 6-bromo-4aH-quinolin-2-one

6-bromo-4aH-quinolin-2-one (PubChem CID 71650442) has the molecular formula C9H6BrNO and a molecular weight of 224.06 g/mol. Its IUPAC name is 6-bromo-4aH-quinolin-2-one.

Molecular Properties

Compound Name6-bromo-4aH-quinolin-2-one
PubChem CID71650442
Molecular FormulaC9H6BrNO
Molecular Weight224.06 g/mol
Exact Mass222.96
IUPAC Name6-bromo-4aH-quinolin-2-one
SMILESO=C1C=CC2C=C(Br)C=CC2=N1
InChIInChI=1S/C9H6BrNO/c10-7-2-3-8-6(5-7)1-4-9(12)11-8/h1-6H
InChIKeyZEPHRFHHSMUZME-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

6-Bromoindole-2-one
CID 22038270
5-Bromoindol-2-one
CID 46739842
8-fluoro-4aH-quinolin-2-one
CID 71304098
6-fluoro-4aH-quinolin-2-one
CID 71650447
8-bromo-7-fluoro-4aH-quinolin-2-one
CID 72540584
5-fluoro-4aH-quinolin-2-one
CID 73200527
5,8-difluoro-4aH-quinolin-2-one
CID 73415018
7-fluoro-4aH-quinolin-2-one
CID 73516911
3-fluoro-4aH-quinolin-2-one
CID 73986618
6-(trifluoromethyl)-4aH-quinolin-2-one
CID 74635635
7-(trifluoromethyl)-4aH-quinolin-2-one
CID 74635636
4-(bromomethyl)-8-fluoro-4aH-quinolin-2-one
CID 74834377

Frequently Asked Questions

What is the IUPAC name of 6-bromo-4aH-quinolin-2-one?
The IUPAC name of 6-bromo-4aH-quinolin-2-one (CID 71650442) is 6-bromo-4aH-quinolin-2-one.
What is the SMILES notation for 6-bromo-4aH-quinolin-2-one?
The canonical SMILES for 6-bromo-4aH-quinolin-2-one is O=C1C=CC2C=C(Br)C=CC2=N1.
What is the InChIKey of 6-bromo-4aH-quinolin-2-one?
The InChIKey is ZEPHRFHHSMUZME-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrNO/c10-7-2-3-8-6(5-7)1-4-9(12)11-8/h1-6H.
What are the key properties of 6-bromo-4aH-quinolin-2-one?
6-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 6-bromo-4aH-quinolin-2-one is sourced from PubChem (CID 71650442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).