2-(2-bromophenyl)-7,8-dihydro-3H-quinazolin-4-one

C14H11BrN2O — CID 135427919

IUPAC2-(2-bromophenyl)-7,8-dihydro-3H-quinazolin-4-one
SMILESO=c1[nH]c(-c2ccccc2Br)nc2c1C=CCC2
InChIInChI=1S/C14H11BrN2O/c15-11-7-3-1-5-9(11)13-16-12-8-4-2-6-10(12)14(18)17-13/h1-3,5-7H,4,8H2,(H,16,17,18)
InChIKeyHLYPVFNPLUOKJS-UHFFFAOYSA-N
MW303.16 g/mol
LogP3.16
Rot. Bonds1

About 2-(2-bromophenyl)-7,8-dihydro-3H-quinazolin-4-one

2-(2-bromophenyl)-7,8-dihydro-3H-quinazolin-4-one (PubChem CID 135427919) has the molecular formula C14H11BrN2O and a molecular weight of 303.16 g/mol. Its IUPAC name is 2-(2-bromophenyl)-7,8-dihydro-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-(2-bromophenyl)-7,8-dihydro-3H-quinazolin-4-one
PubChem CID135427919
Molecular FormulaC14H11BrN2O
Molecular Weight303.16 g/mol
Exact Mass302.01
IUPAC Name2-(2-bromophenyl)-7,8-dihydro-3H-quinazolin-4-one
SMILESO=c1[nH]c(-c2ccccc2Br)nc2c1C=CCC2
InChIInChI=1S/C14H11BrN2O/c15-11-7-3-1-5-9(11)13-16-12-8-4-2-6-10(12)14(18)17-13/h1-3,5-7H,4,8H2,(H,16,17,18)
InChIKeyHLYPVFNPLUOKJS-UHFFFAOYSA-N
XLogP3.16
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.16
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(2-bromophenyl)-7,8-dihydro-3H-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

2-(4-Bromophenyl)-7,8-dihydro-3H-pyrano[4,3-D]pyrimidin-4(5H)-one
CID 135741893
5-Methyl-2,6-diphenyl-4-pyrimidinol
CID 135401354
6-Methyl-5-(2-methylprop-2-en-1-yl)-2-phenylpyrimidin-4-ol
CID 135449249
2-Phenyl-3,4,5,6,7,8-hexahydroquinazolin-4-one
CID 135440564
6-Benzyl-2-(4-bromophenyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 137091054
5-Allyl-6-methyl-2-phenylpyrimidin-4-ol
CID 135411368
2-(2-fluorophenyl)-7,8-dihydro-3H-quinazolin-4-one
CID 135461169
2-(4-Bromophenyl)-6-phenylpyrimidin-4-ol
CID 135420363
5-bromo-4-ethyl-2-phenyl-1H-pyrimidin-6-one
CID 136256111
4-(1-bromoethyl)-2-phenyl-1H-pyrimidin-6-one
CID 136704223
4-(1-bromopropyl)-2-phenyl-1H-pyrimidin-6-one
CID 136704224
4-(bromomethyl)-2-phenyl-1H-pyrimidin-6-one
CID 136704226

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-7,8-dihydro-3H-quinazolin-4-one?
The IUPAC name of 2-(2-bromophenyl)-7,8-dihydro-3H-quinazolin-4-one (CID 135427919) is 2-(2-bromophenyl)-7,8-dihydro-3H-quinazolin-4-one.
What is the SMILES notation for 2-(2-bromophenyl)-7,8-dihydro-3H-quinazolin-4-one?
The canonical SMILES for 2-(2-bromophenyl)-7,8-dihydro-3H-quinazolin-4-one is O=c1[nH]c(-c2ccccc2Br)nc2c1C=CCC2.
What is the InChIKey of 2-(2-bromophenyl)-7,8-dihydro-3H-quinazolin-4-one?
The InChIKey is HLYPVFNPLUOKJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN2O/c15-11-7-3-1-5-9(11)13-16-12-8-4-2-6-10(12)14(18)17-13/h1-3,5-7H,4,8H2,(H,16,17,18).
What are the key properties of 2-(2-bromophenyl)-7,8-dihydro-3H-quinazolin-4-one?
2-(2-bromophenyl)-7,8-dihydro-3H-quinazolin-4-one has a molecular weight of 303.16 g/mol, XLogP of 3.16, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-7,8-dihydro-3H-quinazolin-4-one is sourced from PubChem (CID 135427919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).