2-[(Z)-2-(2,5-dimethylphenyl)ethenyl]-3H-quinazolin-4-one

C18H16N2O — CID 136861073

IUPAC2-[(Z)-2-(2,5-dimethylphenyl)ethenyl]-3H-quinazolin-4-one
SMILESCc1ccc(C)c(/C=C\c2nc3ccccc3c(=O)[nH]2)c1
InChIInChI=1S/C18H16N2O/c1-12-7-8-13(2)14(11-12)9-10-17-19-16-6-4-3-5-15(16)18(21)20-17/h3-11H,1-2H3,(H,19,20,21)/b10-9-
InChIKeyYBZICWBAHJOFND-KTKRTIGZSA-N
MW276.34 g/mol
LogP3.71
Rot. Bonds2

About 2-[(Z)-2-(2,5-dimethylphenyl)ethenyl]-3H-quinazolin-4-one

2-[(Z)-2-(2,5-dimethylphenyl)ethenyl]-3H-quinazolin-4-one (PubChem CID 136861073) has the molecular formula C18H16N2O and a molecular weight of 276.34 g/mol. Its IUPAC name is 2-[(Z)-2-(2,5-dimethylphenyl)ethenyl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-[(Z)-2-(2,5-dimethylphenyl)ethenyl]-3H-quinazolin-4-one
PubChem CID136861073
Molecular FormulaC18H16N2O
Molecular Weight276.34 g/mol
Exact Mass276.13
IUPAC Name2-[(Z)-2-(2,5-dimethylphenyl)ethenyl]-3H-quinazolin-4-one
SMILESCc1ccc(C)c(/C=C\c2nc3ccccc3c(=O)[nH]2)c1
InChIInChI=1S/C18H16N2O/c1-12-7-8-13(2)14(11-12)9-10-17-19-16-6-4-3-5-15(16)18(21)20-17/h3-11H,1-2H3,(H,19,20,21)/b10-9-
InChIKeyYBZICWBAHJOFND-KTKRTIGZSA-N
XLogP3.71
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-naphthalen-1-ylethenyl)-3H-quinazolin-4-one
CID 135471735
2-[2-(2-aminophenyl)ethenyl]-3H-quinazolin-4-one
CID 137193134
2-[(E)-2-(5-bromo-2-hydroxyphenyl)ethenyl]-3H-quinazolin-4-one
CID 135514039
2-[(E)-2-(1-ethylindol-3-yl)ethenyl]-3H-quinazolin-4-one
CID 135584613
2-[(E)-2-(3,4-difluorophenyl)ethenyl]-3H-quinazolin-4-one
CID 136721364
2-[2-(4-ethylphenyl)ethenyl]-3H-quinazolin-4-one
CID 135517947
2-[(E)-2-(5-bromo-2-propoxyphenyl)ethenyl]-3H-quinazolin-4-one
CID 135681127
methyl (E)-3-(4-oxo-3H-quinazolin-2-yl)prop-2-enoate
CID 136732083
2-[(E)-2-(2,5-dimethylphenyl)ethenyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate
CID 8602204
2-[(E)-2-(4-nitrophenyl)ethenyl]-3H-quinazolin-4-one
CID 135446762
2-[2-(4-ethoxy-3-methoxyphenyl)ethenyl]-3H-quinazolin-4-one
CID 135413589
2-[(E)-2-(3-bromo-4-hydroxy-5-methoxyphenyl)ethenyl]-3H-quinazolin-4-one
CID 135676942

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-2-(2,5-dimethylphenyl)ethenyl]-3H-quinazolin-4-one?
The IUPAC name of 2-[(Z)-2-(2,5-dimethylphenyl)ethenyl]-3H-quinazolin-4-one (CID 136861073) is 2-[(Z)-2-(2,5-dimethylphenyl)ethenyl]-3H-quinazolin-4-one.
What is the SMILES notation for 2-[(Z)-2-(2,5-dimethylphenyl)ethenyl]-3H-quinazolin-4-one?
The canonical SMILES for 2-[(Z)-2-(2,5-dimethylphenyl)ethenyl]-3H-quinazolin-4-one is Cc1ccc(C)c(/C=C\c2nc3ccccc3c(=O)[nH]2)c1.
What is the InChIKey of 2-[(Z)-2-(2,5-dimethylphenyl)ethenyl]-3H-quinazolin-4-one?
The InChIKey is YBZICWBAHJOFND-KTKRTIGZSA-N. The full InChI is InChI=1S/C18H16N2O/c1-12-7-8-13(2)14(11-12)9-10-17-19-16-6-4-3-5-15(16)18(21)20-17/h3-11H,1-2H3,(H,19,20,21)/b10-9-.
What are the key properties of 2-[(Z)-2-(2,5-dimethylphenyl)ethenyl]-3H-quinazolin-4-one?
2-[(Z)-2-(2,5-dimethylphenyl)ethenyl]-3H-quinazolin-4-one has a molecular weight of 276.34 g/mol, XLogP of 3.71, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-2-(2,5-dimethylphenyl)ethenyl]-3H-quinazolin-4-one is sourced from PubChem (CID 136861073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).