5-bromo-3,4-dihydro-1H-quinazolin-2-one

C8H7BrN2O — CID 68918301

IUPAC5-bromo-3,4-dihydro-1H-quinazolin-2-one
SMILESO=C1NCc2c(Br)cccc2N1
InChIInChI=1S/C8H7BrN2O/c9-6-2-1-3-7-5(6)4-10-8(12)11-7/h1-3H,4H2,(H2,10,11,12)
InChIKeyBZSVCWIHODXNSS-UHFFFAOYSA-N
MW227.06 g/mol
LogP2.08
Rot. Bonds

About 5-bromo-3,4-dihydro-1H-quinazolin-2-one

5-bromo-3,4-dihydro-1H-quinazolin-2-one (PubChem CID 68918301) has the molecular formula C8H7BrN2O and a molecular weight of 227.06 g/mol. Its IUPAC name is 5-bromo-3,4-dihydro-1H-quinazolin-2-one.

Molecular Properties

Compound Name5-bromo-3,4-dihydro-1H-quinazolin-2-one
PubChem CID68918301
Molecular FormulaC8H7BrN2O
Molecular Weight227.06 g/mol
Exact Mass225.97
IUPAC Name5-bromo-3,4-dihydro-1H-quinazolin-2-one
SMILESO=C1NCc2c(Br)cccc2N1
InChIInChI=1S/C8H7BrN2O/c9-6-2-1-3-7-5(6)4-10-8(12)11-7/h1-3H,4H2,(H2,10,11,12)
InChIKeyBZSVCWIHODXNSS-UHFFFAOYSA-N
XLogP2.08
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.06
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze 5-bromo-3,4-dihydro-1H-quinazolin-2-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

6-Bromo-3-methyl-1,2,3,4-tetrahydroquinazolin-2-one
CID 2927305
3,4-Dihydro-3-methyl-2(1H)-quinazolinone
CID 3846558
1,2,3,4-Tetrahydroquinazolin-2-one
CID 12360756
1-Benzyl-3-(4-bromophenyl)urea
CID 4569723
2-(5-Bromo-2-oxo-1,4-dihydro-2H-quinazolin-3-yl)-N-hydroxy-acetamide
CID 10086145
(2R,3S,4S)-N-(3-bromophenyl)-2-ethyl-3-methyl-4-(phenylamino)-3,4-dihydroquinoline-1(2H)-carboxamide
CID 44562761
5-Bromo-1,2,3,4-tetrahydroquinoline
CID 13865046
6-Bromo-3,4-dihydroquinazolin-2(1H)-one
CID 66683712
3-[(2-Bromophenyl)methyl]-1-phenylurea
CID 60970336
4-[(2-bromophenyl)methyl]-N-phenylpiperazine-1-carboxamide
CID 11660768
N-(4-Bromo-3-methylphenyl)-N'-cyclohexylurea
CID 5158251
1-Methyl-1,2,3,4-tetrahydroquinazolin-2-one
CID 14620633

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3,4-dihydro-1H-quinazolin-2-one?
The IUPAC name of 5-bromo-3,4-dihydro-1H-quinazolin-2-one (CID 68918301) is 5-bromo-3,4-dihydro-1H-quinazolin-2-one.
What is the SMILES notation for 5-bromo-3,4-dihydro-1H-quinazolin-2-one?
The canonical SMILES for 5-bromo-3,4-dihydro-1H-quinazolin-2-one is O=C1NCc2c(Br)cccc2N1.
What is the InChIKey of 5-bromo-3,4-dihydro-1H-quinazolin-2-one?
The InChIKey is BZSVCWIHODXNSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrN2O/c9-6-2-1-3-7-5(6)4-10-8(12)11-7/h1-3H,4H2,(H2,10,11,12).
What are the key properties of 5-bromo-3,4-dihydro-1H-quinazolin-2-one?
5-bromo-3,4-dihydro-1H-quinazolin-2-one has a molecular weight of 227.06 g/mol, XLogP of 2.08, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3,4-dihydro-1H-quinazolin-2-one is sourced from PubChem (CID 68918301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).