3-phenyl-2-[(E)-2-thiophen-2-ylethenyl]quinazolin-4-one

C20H14N2OS — CID 7822082

IUPAC3-phenyl-2-[(E)-2-thiophen-2-ylethenyl]quinazolin-4-one
SMILESO=c1c2ccccc2nc(/C=C/c2cccs2)n1-c1ccccc1
InChIInChI=1S/C20H14N2OS/c23-20-17-10-4-5-11-18(17)21-19(13-12-16-9-6-14-24-16)22(20)15-7-2-1-3-8-15/h1-14H/b13-12+
InChIKeyZVZWEMCVNWEQJK-OUKQBFOZSA-N
MW330.41 g/mol
LogP4.62
Rot. Bonds3

About 3-phenyl-2-[(E)-2-thiophen-2-ylethenyl]quinazolin-4-one

3-phenyl-2-[(E)-2-thiophen-2-ylethenyl]quinazolin-4-one (PubChem CID 7822082) has the molecular formula C20H14N2OS and a molecular weight of 330.41 g/mol. Its IUPAC name is 3-phenyl-2-[(E)-2-thiophen-2-ylethenyl]quinazolin-4-one.

Molecular Properties

Compound Name3-phenyl-2-[(E)-2-thiophen-2-ylethenyl]quinazolin-4-one
PubChem CID7822082
Molecular FormulaC20H14N2OS
Molecular Weight330.41 g/mol
Exact Mass330.08
IUPAC Name3-phenyl-2-[(E)-2-thiophen-2-ylethenyl]quinazolin-4-one
SMILESO=c1c2ccccc2nc(/C=C/c2cccs2)n1-c1ccccc1
InChIInChI=1S/C20H14N2OS/c23-20-17-10-4-5-11-18(17)21-19(13-12-16-9-6-14-24-16)22(20)15-7-2-1-3-8-15/h1-14H/b13-12+
InChIKeyZVZWEMCVNWEQJK-OUKQBFOZSA-N
XLogP4.62
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-methylphenyl)-2-(2-thiophen-2-ylethenyl)quinazolin-4-one
CID 15999428
3-phenyl-2-[(2Z)-2-(thiophen-2-ylmethylidene)hydrazinyl]quinazolin-4-one
CID 6074627
2-[2-(3-hydroxyphenyl)ethenyl]-3-phenylquinazolin-4-one
CID 67228667
2-[2-(4-ethylphenyl)ethenyl]-3-phenylquinazolin-4-one
CID 2957556
2-[(Z)-2-(4-fluorophenyl)ethenyl]-3-(4-hydroxyphenyl)quinazolin-4-one
CID 92955316
3-(4-hydroxyphenyl)-2-[(Z)-2-(2-hydroxyphenyl)ethenyl]quinazolin-4-one
CID 135984240
4-[2-[(Z)-2-(4-hydroxyphenyl)ethenyl]-4-oxoquinazolin-3-yl]benzoic acid
CID 135419107
3-(4-methoxyphenyl)-2-[(E)-2-phenylethenyl]quinazolin-4-one
CID 5336410
2-[(E)-2-(4-methoxyphenyl)ethenyl]-3-(4-methylphenyl)quinazolin-4-one
CID 5379493
3-(3-methylphenyl)-2-[2-(4-methylphenyl)ethenyl]quinazolin-4-one
CID 2928566
2-[2-(4-hydroxyphenyl)ethenyl]-3-naphthalen-2-ylquinazolin-4-one
CID 3776041
2-[2-(3,5-dibromo-2-hydroxyphenyl)ethenyl]-3-phenylquinazolin-4-one
CID 3090604

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-2-[(E)-2-thiophen-2-ylethenyl]quinazolin-4-one?
The IUPAC name of 3-phenyl-2-[(E)-2-thiophen-2-ylethenyl]quinazolin-4-one (CID 7822082) is 3-phenyl-2-[(E)-2-thiophen-2-ylethenyl]quinazolin-4-one.
What is the SMILES notation for 3-phenyl-2-[(E)-2-thiophen-2-ylethenyl]quinazolin-4-one?
The canonical SMILES for 3-phenyl-2-[(E)-2-thiophen-2-ylethenyl]quinazolin-4-one is O=c1c2ccccc2nc(/C=C/c2cccs2)n1-c1ccccc1.
What is the InChIKey of 3-phenyl-2-[(E)-2-thiophen-2-ylethenyl]quinazolin-4-one?
The InChIKey is ZVZWEMCVNWEQJK-OUKQBFOZSA-N. The full InChI is InChI=1S/C20H14N2OS/c23-20-17-10-4-5-11-18(17)21-19(13-12-16-9-6-14-24-16)22(20)15-7-2-1-3-8-15/h1-14H/b13-12+.
What are the key properties of 3-phenyl-2-[(E)-2-thiophen-2-ylethenyl]quinazolin-4-one?
3-phenyl-2-[(E)-2-thiophen-2-ylethenyl]quinazolin-4-one has a molecular weight of 330.41 g/mol, XLogP of 4.62, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-2-[(E)-2-thiophen-2-ylethenyl]quinazolin-4-one is sourced from PubChem (CID 7822082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).