2-[(E)-2-(3-bromophenyl)ethenyl]-3H-quinazolin-4-one

C16H11BrN2O — CID 135446761

IUPAC2-[(E)-2-(3-bromophenyl)ethenyl]-3H-quinazolin-4-one
SMILESO=c1[nH]c(/C=C/c2cccc(Br)c2)nc2ccccc12
InChIInChI=1S/C16H11BrN2O/c17-12-5-3-4-11(10-12)8-9-15-18-14-7-2-1-6-13(14)16(20)19-15/h1-10H,(H,18,19,20)/b9-8+
InChIKeyNIKGZPRQFMVBJT-CMDGGOBGSA-N
MW327.18 g/mol
LogP3.86
Rot. Bonds2

About 2-[(E)-2-(3-bromophenyl)ethenyl]-3H-quinazolin-4-one

2-[(E)-2-(3-bromophenyl)ethenyl]-3H-quinazolin-4-one (PubChem CID 135446761) has the molecular formula C16H11BrN2O and a molecular weight of 327.18 g/mol. Its IUPAC name is 2-[(E)-2-(3-bromophenyl)ethenyl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-[(E)-2-(3-bromophenyl)ethenyl]-3H-quinazolin-4-one
PubChem CID135446761
Molecular FormulaC16H11BrN2O
Molecular Weight327.18 g/mol
Exact Mass326.01
IUPAC Name2-[(E)-2-(3-bromophenyl)ethenyl]-3H-quinazolin-4-one
SMILESO=c1[nH]c(/C=C/c2cccc(Br)c2)nc2ccccc12
InChIInChI=1S/C16H11BrN2O/c17-12-5-3-4-11(10-12)8-9-15-18-14-7-2-1-6-13(14)16(20)19-15/h1-10H,(H,18,19,20)/b9-8+
InChIKeyNIKGZPRQFMVBJT-CMDGGOBGSA-N
XLogP3.86
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.18
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[(E)-2-(3-bromophenyl)ethenyl]-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-Methyl-4(3H)-quinazolinone
CID 135400457
2-Phenyl-4(3H)-Quinazolinone
CID 135400456
Glycosminine
CID 135426527
2-(4-Aminophenyl)-3,4-Dihydroquinazolin-4-One
CID 135416131
2-(4-Bromophenyl)-3,4-Dihydroquinazolin-4-One
CID 135421564
2-(4-Methylphenyl)quinazolin-4(3H)-one
CID 135452109
3-methyl-2-[(E)-2-phenylethenyl]quinazolin-4-one
CID 5377595
2-{(E)-2-[4-(dimethylamino)phenyl]ethenyl}quinazolin-4(3H)-one
CID 135446758
2-((E)-2-o-Tolyl-vinyl)-3H-quinazolin-4-one
CID 135580294
2-{3-[4-phenyl-3,6-dihydro-1(2H)-pyridinyl]propyl}-4(3H)-quinazolinone
CID 135440318
2-(4-Amino-phenyl)-8-methyl-3H-quinazolin-4-one
CID 135463623
2-[(E)-2-(3-bromophenyl)ethenyl]-3-methylquinazolin-4-one
CID 5374970

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(3-bromophenyl)ethenyl]-3H-quinazolin-4-one?
The IUPAC name of 2-[(E)-2-(3-bromophenyl)ethenyl]-3H-quinazolin-4-one (CID 135446761) is 2-[(E)-2-(3-bromophenyl)ethenyl]-3H-quinazolin-4-one.
What is the SMILES notation for 2-[(E)-2-(3-bromophenyl)ethenyl]-3H-quinazolin-4-one?
The canonical SMILES for 2-[(E)-2-(3-bromophenyl)ethenyl]-3H-quinazolin-4-one is O=c1[nH]c(/C=C/c2cccc(Br)c2)nc2ccccc12.
What is the InChIKey of 2-[(E)-2-(3-bromophenyl)ethenyl]-3H-quinazolin-4-one?
The InChIKey is NIKGZPRQFMVBJT-CMDGGOBGSA-N. The full InChI is InChI=1S/C16H11BrN2O/c17-12-5-3-4-11(10-12)8-9-15-18-14-7-2-1-6-13(14)16(20)19-15/h1-10H,(H,18,19,20)/b9-8+.
What are the key properties of 2-[(E)-2-(3-bromophenyl)ethenyl]-3H-quinazolin-4-one?
2-[(E)-2-(3-bromophenyl)ethenyl]-3H-quinazolin-4-one has a molecular weight of 327.18 g/mol, XLogP of 3.86, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(3-bromophenyl)ethenyl]-3H-quinazolin-4-one is sourced from PubChem (CID 135446761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).