2-[2-(4-ethylphenyl)ethenyl]-3H-quinazolin-4-one

C18H16N2O — CID 135517947

IUPAC2-[2-(4-ethylphenyl)ethenyl]-3H-quinazolin-4-one
SMILESCCc1ccc(C=Cc2nc3ccccc3c(=O)[nH]2)cc1
InChIInChI=1S/C18H16N2O/c1-2-13-7-9-14(10-8-13)11-12-17-19-16-6-4-3-5-15(16)18(21)20-17/h3-12H,2H2,1H3,(H,19,20,21)
InChIKeyDHFBXFNQLLGFNQ-UHFFFAOYSA-N
MW276.34 g/mol
LogP3.66
Rot. Bonds3

About 2-[2-(4-ethylphenyl)ethenyl]-3H-quinazolin-4-one

2-[2-(4-ethylphenyl)ethenyl]-3H-quinazolin-4-one (PubChem CID 135517947) has the molecular formula C18H16N2O and a molecular weight of 276.34 g/mol. Its IUPAC name is 2-[2-(4-ethylphenyl)ethenyl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-[2-(4-ethylphenyl)ethenyl]-3H-quinazolin-4-one
PubChem CID135517947
Molecular FormulaC18H16N2O
Molecular Weight276.34 g/mol
Exact Mass276.13
IUPAC Name2-[2-(4-ethylphenyl)ethenyl]-3H-quinazolin-4-one
SMILESCCc1ccc(C=Cc2nc3ccccc3c(=O)[nH]2)cc1
InChIInChI=1S/C18H16N2O/c1-2-13-7-9-14(10-8-13)11-12-17-19-16-6-4-3-5-15(16)18(21)20-17/h3-12H,2H2,1H3,(H,19,20,21)
InChIKeyDHFBXFNQLLGFNQ-UHFFFAOYSA-N
XLogP3.66
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(E)-2-(4-nitrophenyl)ethenyl]-3H-quinazolin-4-one
CID 135446762
2-[(E)-2-(3,4-difluorophenyl)ethenyl]-3H-quinazolin-4-one
CID 136721364
2-[2-(4-ethoxy-3-methoxyphenyl)ethenyl]-3H-quinazolin-4-one
CID 135413589
2-(2-naphthalen-1-ylethenyl)-3H-quinazolin-4-one
CID 135471735
3-[N-methyl-4-[(E)-2-(4-oxo-3H-quinazolin-2-yl)ethenyl]anilino]propanenitrile
CID 135830252
2-[2-(4-ethylphenyl)ethenyl]-3-phenylquinazolin-4-one
CID 2957556
2-[(E)-2-(1-ethylindol-3-yl)ethenyl]-3H-quinazolin-4-one
CID 135584613
2-[2-(2-aminophenyl)ethenyl]-3H-quinazolin-4-one
CID 137193134
2-[(E)-2-[4-(dimethylamino)-3-nitrophenyl]ethenyl]-3H-quinazolin-4-one
CID 135847219
2-[(Z)-2-(2,5-dimethylphenyl)ethenyl]-3H-quinazolin-4-one
CID 136861073
2-[[(4-ethylphenyl)methyl-methylamino]methyl]-3H-quinazolin-4-one
CID 135512157
methyl (E)-3-(4-oxo-3H-quinazolin-2-yl)prop-2-enoate
CID 136732083

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-ethylphenyl)ethenyl]-3H-quinazolin-4-one?
The IUPAC name of 2-[2-(4-ethylphenyl)ethenyl]-3H-quinazolin-4-one (CID 135517947) is 2-[2-(4-ethylphenyl)ethenyl]-3H-quinazolin-4-one.
What is the SMILES notation for 2-[2-(4-ethylphenyl)ethenyl]-3H-quinazolin-4-one?
The canonical SMILES for 2-[2-(4-ethylphenyl)ethenyl]-3H-quinazolin-4-one is CCc1ccc(C=Cc2nc3ccccc3c(=O)[nH]2)cc1.
What is the InChIKey of 2-[2-(4-ethylphenyl)ethenyl]-3H-quinazolin-4-one?
The InChIKey is DHFBXFNQLLGFNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O/c1-2-13-7-9-14(10-8-13)11-12-17-19-16-6-4-3-5-15(16)18(21)20-17/h3-12H,2H2,1H3,(H,19,20,21).
What are the key properties of 2-[2-(4-ethylphenyl)ethenyl]-3H-quinazolin-4-one?
2-[2-(4-ethylphenyl)ethenyl]-3H-quinazolin-4-one has a molecular weight of 276.34 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-ethylphenyl)ethenyl]-3H-quinazolin-4-one is sourced from PubChem (CID 135517947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).