7-bromo-4aH-quinazolin-4-one

C8H5BrN2O — CID 71304026

IUPAC7-bromo-4aH-quinazolin-4-one
SMILESO=C1N=CN=C2C=C(Br)C=CC12
InChIInChI=1S/C8H5BrN2O/c9-5-1-2-6-7(3-5)10-4-11-8(6)12/h1-4,6H
InChIKeyFLGPFBOKJURNNL-UHFFFAOYSA-N
MW225.05 g/mol
LogP1.46
Rot. Bonds

About 7-bromo-4aH-quinazolin-4-one

7-bromo-4aH-quinazolin-4-one (PubChem CID 71304026) has the molecular formula C8H5BrN2O and a molecular weight of 225.05 g/mol. Its IUPAC name is 7-bromo-4aH-quinazolin-4-one.

Molecular Properties

Compound Name7-bromo-4aH-quinazolin-4-one
PubChem CID71304026
Molecular FormulaC8H5BrN2O
Molecular Weight225.05 g/mol
Exact Mass223.96
IUPAC Name7-bromo-4aH-quinazolin-4-one
SMILESO=C1N=CN=C2C=C(Br)C=CC12
InChIInChI=1S/C8H5BrN2O/c9-5-1-2-6-7(3-5)10-4-11-8(6)12/h1-4,6H
InChIKeyFLGPFBOKJURNNL-UHFFFAOYSA-N
XLogP1.46
TPSA41.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.05
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 7-bromo-4aH-quinazolin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-(trifluoromethyl)-4aH-quinazolin-4-one
CID 72733956
6-ethynyl-4aH-quinazolin-4-one
CID 91561838
7-bromo-4-methyl-4aH-quinoline-2-thione
CID 78204873
(7aS)-1,7a-dihydropyrazolo[4,3-d]pyrimidin-7-one
CID 97056718
7-bromo-3-(trifluoromethyl)-4aH-quinolin-2-one
CID 178188561
3-bromo-6-(hydroxymethyl)cyclohexa-2,4-dien-1-one
CID 123458953
7-bromo-4aH-1,5-naphthyridin-2-one
CID 76619277
(3aS)-4,6-dibromo-2,3a-dihydroindazol-3-one
CID 86311164
2-(7-chloro-4-oxo-4aH-quinazolin-2-yl)acetonitrile
CID 85432783
3-bromocyclohexa-2,4-dien-1-one
CID 89488225
(8aS)-1-oxo-8aH-isoquinoline-6-carboxylic acid
CID 129407549
4-bromo-4aH-quinolin-2-one
CID 71303285

Frequently Asked Questions

What is the IUPAC name of 7-bromo-4aH-quinazolin-4-one?
The IUPAC name of 7-bromo-4aH-quinazolin-4-one (CID 71304026) is 7-bromo-4aH-quinazolin-4-one.
What is the SMILES notation for 7-bromo-4aH-quinazolin-4-one?
The canonical SMILES for 7-bromo-4aH-quinazolin-4-one is O=C1N=CN=C2C=C(Br)C=CC12.
What is the InChIKey of 7-bromo-4aH-quinazolin-4-one?
The InChIKey is FLGPFBOKJURNNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrN2O/c9-5-1-2-6-7(3-5)10-4-11-8(6)12/h1-4,6H.
What are the key properties of 7-bromo-4aH-quinazolin-4-one?
7-bromo-4aH-quinazolin-4-one has a molecular weight of 225.05 g/mol, XLogP of 1.46, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-4aH-quinazolin-4-one is sourced from PubChem (CID 71304026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).