3-(4-bromophenyl)-2-(2-naphthalen-1-ylethenyl)quinazolin-4-one

C26H17BrN2O — CID 554530

IUPAC3-(4-bromophenyl)-2-(2-naphthalen-1-ylethenyl)quinazolin-4-one
SMILESO=c1c2ccccc2nc(C=Cc2cccc3ccccc23)n1-c1ccc(Br)cc1
InChIInChI=1S/C26H17BrN2O/c27-20-13-15-21(16-14-20)29-25(28-24-11-4-3-10-23(24)26(29)30)17-12-19-8-5-7-18-6-1-2-9-22(18)19/h1-17H
InChIKeyVBXAPGUQJMOMLZ-UHFFFAOYSA-N
MW453.34 g/mol
LogP6.47
Rot. Bonds3

About 3-(4-bromophenyl)-2-(2-naphthalen-1-ylethenyl)quinazolin-4-one

3-(4-bromophenyl)-2-(2-naphthalen-1-ylethenyl)quinazolin-4-one (PubChem CID 554530) has the molecular formula C26H17BrN2O and a molecular weight of 453.34 g/mol. Its IUPAC name is 3-(4-bromophenyl)-2-(2-naphthalen-1-ylethenyl)quinazolin-4-one.

Molecular Properties

Compound Name3-(4-bromophenyl)-2-(2-naphthalen-1-ylethenyl)quinazolin-4-one
PubChem CID554530
Molecular FormulaC26H17BrN2O
Molecular Weight453.34 g/mol
Exact Mass452.05
IUPAC Name3-(4-bromophenyl)-2-(2-naphthalen-1-ylethenyl)quinazolin-4-one
SMILESO=c1c2ccccc2nc(C=Cc2cccc3ccccc23)n1-c1ccc(Br)cc1
InChIInChI=1S/C26H17BrN2O/c27-20-13-15-21(16-14-20)29-25(28-24-11-4-3-10-23(24)26(29)30)17-12-19-8-5-7-18-6-1-2-9-22(18)19/h1-17H
InChIKeyVBXAPGUQJMOMLZ-UHFFFAOYSA-N
XLogP6.47
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.34
LogP ≤ 56.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-bromophenyl)-2-[2-(2-methylphenyl)ethenyl]quinazolin-4-one
CID 3700273
3-(4-ethynylphenyl)-2-[(E)-2-naphthalen-1-ylethenyl]quinazolin-4-one
CID 155527552
2-[(E)-2-naphthalen-1-ylethenyl]-3-(4-nitrophenyl)quinazolin-4-one
CID 5366941
3-(4-hydroxyphenyl)-2-[(Z)-2-(2-hydroxyphenyl)ethenyl]quinazolin-4-one
CID 135984240
3-(4-bromophenyl)-2-[(Z)-2-pyridin-3-ylethenyl]quinazolin-4-one
CID 92919266
2-[2-(4-bromophenyl)ethenyl]-3-(4-nitrophenyl)quinazolin-4-one
CID 2829077
2-[2-(3,5-dibromo-2-hydroxyphenyl)ethenyl]-3-phenylquinazolin-4-one
CID 3090604
3-(4-chlorophenyl)-2-[(E)-2-(2-hydroxy-3-methylphenyl)ethenyl]quinazolin-4-one
CID 143457841
2-[2-(2-hydroxy-3-methoxyphenyl)ethenyl]-3-phenylquinazolin-4-one
CID 2862994
2-[(E)-2-(4-bromophenyl)ethenyl]-3-(2-hydroxyphenyl)quinazolin-4-one
CID 6306933
3-(3-chlorophenyl)-2-[2-(2-chlorophenyl)ethenyl]quinazolin-4-one
CID 2965083
2-[2-(2-hydroxyphenyl)ethenyl]-3-(3-methoxyphenyl)quinazolin-4-one
CID 632826

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-2-(2-naphthalen-1-ylethenyl)quinazolin-4-one?
The IUPAC name of 3-(4-bromophenyl)-2-(2-naphthalen-1-ylethenyl)quinazolin-4-one (CID 554530) is 3-(4-bromophenyl)-2-(2-naphthalen-1-ylethenyl)quinazolin-4-one.
What is the SMILES notation for 3-(4-bromophenyl)-2-(2-naphthalen-1-ylethenyl)quinazolin-4-one?
The canonical SMILES for 3-(4-bromophenyl)-2-(2-naphthalen-1-ylethenyl)quinazolin-4-one is O=c1c2ccccc2nc(C=Cc2cccc3ccccc23)n1-c1ccc(Br)cc1.
What is the InChIKey of 3-(4-bromophenyl)-2-(2-naphthalen-1-ylethenyl)quinazolin-4-one?
The InChIKey is VBXAPGUQJMOMLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17BrN2O/c27-20-13-15-21(16-14-20)29-25(28-24-11-4-3-10-23(24)26(29)30)17-12-19-8-5-7-18-6-1-2-9-22(18)19/h1-17H.
What are the key properties of 3-(4-bromophenyl)-2-(2-naphthalen-1-ylethenyl)quinazolin-4-one?
3-(4-bromophenyl)-2-(2-naphthalen-1-ylethenyl)quinazolin-4-one has a molecular weight of 453.34 g/mol, XLogP of 6.47, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-2-(2-naphthalen-1-ylethenyl)quinazolin-4-one is sourced from PubChem (CID 554530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).