3-(4-methylphenyl)-2-(2-thiophen-2-ylethenyl)quinazolin-4-one

C21H16N2OS — CID 15999428

IUPAC3-(4-methylphenyl)-2-(2-thiophen-2-ylethenyl)quinazolin-4-one
SMILESCc1ccc(-n2c(C=Cc3cccs3)nc3ccccc3c2=O)cc1
InChIInChI=1S/C21H16N2OS/c1-15-8-10-16(11-9-15)23-20(13-12-17-5-4-14-25-17)22-19-7-3-2-6-18(19)21(23)24/h2-14H,1H3
InChIKeyORBQYHYZURPLTK-UHFFFAOYSA-N
MW344.44 g/mol
LogP4.93
Rot. Bonds3

About 3-(4-methylphenyl)-2-(2-thiophen-2-ylethenyl)quinazolin-4-one

3-(4-methylphenyl)-2-(2-thiophen-2-ylethenyl)quinazolin-4-one (PubChem CID 15999428) has the molecular formula C21H16N2OS and a molecular weight of 344.44 g/mol. Its IUPAC name is 3-(4-methylphenyl)-2-(2-thiophen-2-ylethenyl)quinazolin-4-one.

Molecular Properties

Compound Name3-(4-methylphenyl)-2-(2-thiophen-2-ylethenyl)quinazolin-4-one
PubChem CID15999428
Molecular FormulaC21H16N2OS
Molecular Weight344.44 g/mol
Exact Mass344.10
IUPAC Name3-(4-methylphenyl)-2-(2-thiophen-2-ylethenyl)quinazolin-4-one
SMILESCc1ccc(-n2c(C=Cc3cccs3)nc3ccccc3c2=O)cc1
InChIInChI=1S/C21H16N2OS/c1-15-8-10-16(11-9-15)23-20(13-12-17-5-4-14-25-17)22-19-7-3-2-6-18(19)21(23)24/h2-14H,1H3
InChIKeyORBQYHYZURPLTK-UHFFFAOYSA-N
XLogP4.93
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-phenyl-2-[(E)-2-thiophen-2-ylethenyl]quinazolin-4-one
CID 7822082
2-[(E)-2-(4-methoxyphenyl)ethenyl]-3-(4-methylphenyl)quinazolin-4-one
CID 5379493
2-[2-(3,4-dihydroxyphenyl)ethenyl]-3-(4-methylphenyl)quinazolin-4-one
CID 2880218
3-(3-methylphenyl)-2-[2-(4-methylphenyl)ethenyl]quinazolin-4-one
CID 2928566
3-(4-methylphenyl)-2-[2-(2-nitrophenyl)ethenyl]quinazolin-4-one
CID 2870120
2-[2-(1-benzyl-2-methylindol-3-yl)ethenyl]-3-(4-methylphenyl)quinazolin-4-one
CID 4274684
3-(4-methoxyphenyl)-2-[(E)-2-phenylethenyl]quinazolin-4-one
CID 5336410
3-(4-bromophenyl)-2-[2-(2-methylphenyl)ethenyl]quinazolin-4-one
CID 3700273
3-(4-hydroxyphenyl)-2-[(Z)-2-(2-hydroxyphenyl)ethenyl]quinazolin-4-one
CID 135984240
3-[2-[(E)-2-(4-methylphenyl)ethenyl]-4-oxoquinazolin-3-yl]benzamide
CID 118858186
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

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)-2-(2-thiophen-2-ylethenyl)quinazolin-4-one?
The IUPAC name of 3-(4-methylphenyl)-2-(2-thiophen-2-ylethenyl)quinazolin-4-one (CID 15999428) is 3-(4-methylphenyl)-2-(2-thiophen-2-ylethenyl)quinazolin-4-one.
What is the SMILES notation for 3-(4-methylphenyl)-2-(2-thiophen-2-ylethenyl)quinazolin-4-one?
The canonical SMILES for 3-(4-methylphenyl)-2-(2-thiophen-2-ylethenyl)quinazolin-4-one is Cc1ccc(-n2c(C=Cc3cccs3)nc3ccccc3c2=O)cc1.
What is the InChIKey of 3-(4-methylphenyl)-2-(2-thiophen-2-ylethenyl)quinazolin-4-one?
The InChIKey is ORBQYHYZURPLTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2OS/c1-15-8-10-16(11-9-15)23-20(13-12-17-5-4-14-25-17)22-19-7-3-2-6-18(19)21(23)24/h2-14H,1H3.
What are the key properties of 3-(4-methylphenyl)-2-(2-thiophen-2-ylethenyl)quinazolin-4-one?
3-(4-methylphenyl)-2-(2-thiophen-2-ylethenyl)quinazolin-4-one has a molecular weight of 344.44 g/mol, XLogP of 4.93, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)-2-(2-thiophen-2-ylethenyl)quinazolin-4-one is sourced from PubChem (CID 15999428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).