6-bromo-2-[(E)-2-(1H-indol-3-yl)ethenyl]-3-phenylquinazolin-4-one

C24H16BrN3O — CID 135538321

IUPAC6-bromo-2-[(E)-2-(1H-indol-3-yl)ethenyl]-3-phenylquinazolin-4-one
SMILESO=c1c2cc(Br)ccc2nc(/C=C/c2c[nH]c3ccccc23)n1-c1ccccc1
InChIInChI=1S/C24H16BrN3O/c25-17-11-12-22-20(14-17)24(29)28(18-6-2-1-3-7-18)23(27-22)13-10-16-15-26-21-9-5-4-8-19(16)21/h1-15,26H/b13-10+
InChIKeyYCUZGRWQQHMZPL-JLHYYAGUSA-N
MW442.32 g/mol
LogP5.80
Rot. Bonds3

About 6-bromo-2-[(E)-2-(1H-indol-3-yl)ethenyl]-3-phenylquinazolin-4-one

6-bromo-2-[(E)-2-(1H-indol-3-yl)ethenyl]-3-phenylquinazolin-4-one (PubChem CID 135538321) has the molecular formula C24H16BrN3O and a molecular weight of 442.32 g/mol. Its IUPAC name is 6-bromo-2-[(E)-2-(1H-indol-3-yl)ethenyl]-3-phenylquinazolin-4-one.

Molecular Properties

Compound Name6-bromo-2-[(E)-2-(1H-indol-3-yl)ethenyl]-3-phenylquinazolin-4-one
PubChem CID135538321
Molecular FormulaC24H16BrN3O
Molecular Weight442.32 g/mol
Exact Mass441.05
IUPAC Name6-bromo-2-[(E)-2-(1H-indol-3-yl)ethenyl]-3-phenylquinazolin-4-one
SMILESO=c1c2cc(Br)ccc2nc(/C=C/c2c[nH]c3ccccc23)n1-c1ccccc1
InChIInChI=1S/C24H16BrN3O/c25-17-11-12-22-20(14-17)24(29)28(18-6-2-1-3-7-18)23(27-22)13-10-16-15-26-21-9-5-4-8-19(16)21/h1-15,26H/b13-10+
InChIKeyYCUZGRWQQHMZPL-JLHYYAGUSA-N
XLogP5.80
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.32
LogP ≤ 55.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-bromo-2-[(E)-2-(1H-indol-3-yl)ethenyl]-3-phenylquinazolin-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

3-[2-[2-(1H-indol-3-yl)ethenyl]-4-oxoquinazolin-3-yl]benzoic acid
CID 4978929
2-[2-(1H-indol-3-yl)ethenyl]-6-iodo-3-methylquinazolin-4-one
CID 2909271
2-[2-(3,5-dibromo-2-hydroxyphenyl)ethenyl]-3-phenylquinazolin-4-one
CID 3090604
3-(4-bromophenyl)-2-(2-naphthalen-1-ylethenyl)quinazolin-4-one
CID 554530
3-(4-bromophenyl)-2-[2-(2-methylphenyl)ethenyl]quinazolin-4-one
CID 3700273
3-benzyl-2-[(E)-2-(1H-indol-3-yl)ethenyl]quinazolin-4-one
CID 135408354
3-benzyl-2-[2-(1H-indol-3-yl)ethenyl]-6-iodoquinazolin-4-one
CID 3313252
3-(4-hydroxyphenyl)-2-[(Z)-2-(2-hydroxyphenyl)ethenyl]quinazolin-4-one
CID 135984240
2-[(E)-2-(5-bromo-2-hydroxyphenyl)ethenyl]-3-(3-nitrophenyl)quinazolin-4-one
CID 135451284
2-[(E)-2-(5-methoxy-1H-indol-3-yl)ethenyl]-3-(2-methoxyphenyl)quinazolin-4-one
CID 135584614
2-[2-(5-methoxy-1H-indol-3-yl)ethenyl]-3-(2-methylphenyl)quinazolin-4-one
CID 3767381
2-[2-(4-bromophenyl)ethenyl]-3-(4-nitrophenyl)quinazolin-4-one
CID 2829077

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-[(E)-2-(1H-indol-3-yl)ethenyl]-3-phenylquinazolin-4-one?
The IUPAC name of 6-bromo-2-[(E)-2-(1H-indol-3-yl)ethenyl]-3-phenylquinazolin-4-one (CID 135538321) is 6-bromo-2-[(E)-2-(1H-indol-3-yl)ethenyl]-3-phenylquinazolin-4-one.
What is the SMILES notation for 6-bromo-2-[(E)-2-(1H-indol-3-yl)ethenyl]-3-phenylquinazolin-4-one?
The canonical SMILES for 6-bromo-2-[(E)-2-(1H-indol-3-yl)ethenyl]-3-phenylquinazolin-4-one is O=c1c2cc(Br)ccc2nc(/C=C/c2c[nH]c3ccccc23)n1-c1ccccc1.
What is the InChIKey of 6-bromo-2-[(E)-2-(1H-indol-3-yl)ethenyl]-3-phenylquinazolin-4-one?
The InChIKey is YCUZGRWQQHMZPL-JLHYYAGUSA-N. The full InChI is InChI=1S/C24H16BrN3O/c25-17-11-12-22-20(14-17)24(29)28(18-6-2-1-3-7-18)23(27-22)13-10-16-15-26-21-9-5-4-8-19(16)21/h1-15,26H/b13-10+.
What are the key properties of 6-bromo-2-[(E)-2-(1H-indol-3-yl)ethenyl]-3-phenylquinazolin-4-one?
6-bromo-2-[(E)-2-(1H-indol-3-yl)ethenyl]-3-phenylquinazolin-4-one has a molecular weight of 442.32 g/mol, XLogP of 5.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-[(E)-2-(1H-indol-3-yl)ethenyl]-3-phenylquinazolin-4-one is sourced from PubChem (CID 135538321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).