3-(4-bromophenyl)-2-[(Z)-2-pyridin-3-ylethenyl]quinazolin-4-one

C21H14BrN3O — CID 92919266

IUPAC3-(4-bromophenyl)-2-[(Z)-2-pyridin-3-ylethenyl]quinazolin-4-one
SMILESO=c1c2ccccc2nc(/C=C\c2cccnc2)n1-c1ccc(Br)cc1
InChIInChI=1S/C21H14BrN3O/c22-16-8-10-17(11-9-16)25-20(12-7-15-4-3-13-23-14-15)24-19-6-2-1-5-18(19)21(25)26/h1-14H/b12-7-
InChIKeyRIQNNPJSMWQXPW-GHXNOFRVSA-N
MW404.27 g/mol
LogP4.71
Rot. Bonds3

About 3-(4-bromophenyl)-2-[(Z)-2-pyridin-3-ylethenyl]quinazolin-4-one

3-(4-bromophenyl)-2-[(Z)-2-pyridin-3-ylethenyl]quinazolin-4-one (PubChem CID 92919266) has the molecular formula C21H14BrN3O and a molecular weight of 404.27 g/mol. Its IUPAC name is 3-(4-bromophenyl)-2-[(Z)-2-pyridin-3-ylethenyl]quinazolin-4-one.

Molecular Properties

Compound Name3-(4-bromophenyl)-2-[(Z)-2-pyridin-3-ylethenyl]quinazolin-4-one
PubChem CID92919266
Molecular FormulaC21H14BrN3O
Molecular Weight404.27 g/mol
Exact Mass403.03
IUPAC Name3-(4-bromophenyl)-2-[(Z)-2-pyridin-3-ylethenyl]quinazolin-4-one
SMILESO=c1c2ccccc2nc(/C=C\c2cccnc2)n1-c1ccc(Br)cc1
InChIInChI=1S/C21H14BrN3O/c22-16-8-10-17(11-9-16)25-20(12-7-15-4-3-13-23-14-15)24-19-6-2-1-5-18(19)21(25)26/h1-14H/b12-7-
InChIKeyRIQNNPJSMWQXPW-GHXNOFRVSA-N
XLogP4.71
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.27
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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
2-[2-(4-bromophenyl)ethenyl]-3-(4-nitrophenyl)quinazolin-4-one
CID 2829077
3-(2-methoxyphenyl)-2-(2-pyridin-3-ylethenyl)quinazolin-4-one
CID 6614301
1-phenyl-2-[(E)-2-pyridin-3-ylethenyl]benzimidazole
CID 67621656
3-(4-methoxyphenyl)-2-[(E)-2-phenylethenyl]quinazolin-4-one
CID 5336410
2-[(E)-2-(4-bromophenyl)ethenyl]-3-(2-hydroxyphenyl)quinazolin-4-one
CID 6306933
2-[(E)-2-(3-nitrophenyl)ethenyl]-3-pyridin-3-ylquinazolin-4-one
CID 6165799
3-(4-hydroxyphenyl)-2-[(Z)-2-(2-hydroxyphenyl)ethenyl]quinazolin-4-one
CID 135984240
2-[2-(3-hydroxyphenyl)ethenyl]-3-phenylquinazolin-4-one
CID 67228667
3-[(4-chlorophenyl)methyl]-2-[(E)-2-pyridin-3-ylethenyl]quinazolin-4-one
CID 53245568
2-[(Z)-2-(3-bromophenyl)ethenyl]-3-(3,5-dimethylphenyl)quinazolin-4-one
CID 20966922

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-2-[(Z)-2-pyridin-3-ylethenyl]quinazolin-4-one?
The IUPAC name of 3-(4-bromophenyl)-2-[(Z)-2-pyridin-3-ylethenyl]quinazolin-4-one (CID 92919266) is 3-(4-bromophenyl)-2-[(Z)-2-pyridin-3-ylethenyl]quinazolin-4-one.
What is the SMILES notation for 3-(4-bromophenyl)-2-[(Z)-2-pyridin-3-ylethenyl]quinazolin-4-one?
The canonical SMILES for 3-(4-bromophenyl)-2-[(Z)-2-pyridin-3-ylethenyl]quinazolin-4-one is O=c1c2ccccc2nc(/C=C\c2cccnc2)n1-c1ccc(Br)cc1.
What is the InChIKey of 3-(4-bromophenyl)-2-[(Z)-2-pyridin-3-ylethenyl]quinazolin-4-one?
The InChIKey is RIQNNPJSMWQXPW-GHXNOFRVSA-N. The full InChI is InChI=1S/C21H14BrN3O/c22-16-8-10-17(11-9-16)25-20(12-7-15-4-3-13-23-14-15)24-19-6-2-1-5-18(19)21(25)26/h1-14H/b12-7-.
What are the key properties of 3-(4-bromophenyl)-2-[(Z)-2-pyridin-3-ylethenyl]quinazolin-4-one?
3-(4-bromophenyl)-2-[(Z)-2-pyridin-3-ylethenyl]quinazolin-4-one has a molecular weight of 404.27 g/mol, XLogP of 4.71, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-2-[(Z)-2-pyridin-3-ylethenyl]quinazolin-4-one is sourced from PubChem (CID 92919266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).