3-ethyl-2-[(Z)-2-(3-methylphenyl)ethenyl]quinazolin-4-one

C19H18N2O — CID 7334704

IUPAC3-ethyl-2-[(Z)-2-(3-methylphenyl)ethenyl]quinazolin-4-one
SMILESCCn1c(/C=C\c2cccc(C)c2)nc2ccccc2c1=O
InChIInChI=1S/C19H18N2O/c1-3-21-18(12-11-15-8-6-7-14(2)13-15)20-17-10-5-4-9-16(17)19(21)22/h4-13H,3H2,1-2H3/b12-11-
InChIKeyMVVYMOGQFLCRQA-QXMHVHEDSA-N
MW290.37 g/mol
LogP3.90
Rot. Bonds3

About 3-ethyl-2-[(Z)-2-(3-methylphenyl)ethenyl]quinazolin-4-one

3-ethyl-2-[(Z)-2-(3-methylphenyl)ethenyl]quinazolin-4-one (PubChem CID 7334704) has the molecular formula C19H18N2O and a molecular weight of 290.37 g/mol. Its IUPAC name is 3-ethyl-2-[(Z)-2-(3-methylphenyl)ethenyl]quinazolin-4-one.

Molecular Properties

Compound Name3-ethyl-2-[(Z)-2-(3-methylphenyl)ethenyl]quinazolin-4-one
PubChem CID7334704
Molecular FormulaC19H18N2O
Molecular Weight290.37 g/mol
Exact Mass290.14
IUPAC Name3-ethyl-2-[(Z)-2-(3-methylphenyl)ethenyl]quinazolin-4-one
SMILESCCn1c(/C=C\c2cccc(C)c2)nc2ccccc2c1=O
InChIInChI=1S/C19H18N2O/c1-3-21-18(12-11-15-8-6-7-14(2)13-15)20-17-10-5-4-9-16(17)19(21)22/h4-13H,3H2,1-2H3/b12-11-
InChIKeyMVVYMOGQFLCRQA-QXMHVHEDSA-N
XLogP3.90
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]-3-ethylquinazolin-4-one
CID 135544846
3-ethyl-2-[2-(3-nitrophenyl)ethenyl]quinazolin-4-one
CID 629407
3-ethyl-2-[2-(2-methyl-1H-indol-3-yl)ethenyl]quinazolin-4-one
CID 3125241
2-[(Z)-2-(1,2-dimethylindol-3-yl)ethenyl]-3-ethylquinazolin-4-one
CID 92912504
3-ethyl-2-[(E)-2-(furan-2-yl)ethenyl]quinazolin-4-one
CID 5377736
3-(3-methylphenyl)-2-[2-(4-methylphenyl)ethenyl]quinazolin-4-one
CID 2928566
3-(2-hydroxyethyl)-2-(2-phenylethenyl)quinazolin-4-one
CID 71374590
2-(2-phenylethenyl)-3-(2-phenylethyl)quinazolin-4-one
CID 2940266
3-[(4-methylphenyl)methyl]-2-[(E)-2-pyridin-3-ylethenyl]quinazolin-4-one
CID 53245528
2-[2-(1-benzylindol-3-yl)ethenyl]-3-ethylquinazolin-4-one
CID 2870092
3-(3-aminopropyl)-6-methyl-2-[(E)-2-phenylethenyl]quinazolin-4-one
CID 22484627
3-ethyl-2-phenylquinazolin-4-one
CID 12626608

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-[(Z)-2-(3-methylphenyl)ethenyl]quinazolin-4-one?
The IUPAC name of 3-ethyl-2-[(Z)-2-(3-methylphenyl)ethenyl]quinazolin-4-one (CID 7334704) is 3-ethyl-2-[(Z)-2-(3-methylphenyl)ethenyl]quinazolin-4-one.
What is the SMILES notation for 3-ethyl-2-[(Z)-2-(3-methylphenyl)ethenyl]quinazolin-4-one?
The canonical SMILES for 3-ethyl-2-[(Z)-2-(3-methylphenyl)ethenyl]quinazolin-4-one is CCn1c(/C=C\c2cccc(C)c2)nc2ccccc2c1=O.
What is the InChIKey of 3-ethyl-2-[(Z)-2-(3-methylphenyl)ethenyl]quinazolin-4-one?
The InChIKey is MVVYMOGQFLCRQA-QXMHVHEDSA-N. The full InChI is InChI=1S/C19H18N2O/c1-3-21-18(12-11-15-8-6-7-14(2)13-15)20-17-10-5-4-9-16(17)19(21)22/h4-13H,3H2,1-2H3/b12-11-.
What are the key properties of 3-ethyl-2-[(Z)-2-(3-methylphenyl)ethenyl]quinazolin-4-one?
3-ethyl-2-[(Z)-2-(3-methylphenyl)ethenyl]quinazolin-4-one has a molecular weight of 290.37 g/mol, XLogP of 3.90, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-[(Z)-2-(3-methylphenyl)ethenyl]quinazolin-4-one is sourced from PubChem (CID 7334704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).