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

C19H18N2O — CID 6241452

IUPAC3-ethyl-2-[(E)-2-(2-methylphenyl)ethenyl]quinazolin-4-one
SMILESCCn1c(/C=C/c2ccccc2C)nc2ccccc2c1=O
InChIInChI=1S/C19H18N2O/c1-3-21-18(13-12-15-9-5-4-8-14(15)2)20-17-11-7-6-10-16(17)19(21)22/h4-13H,3H2,1-2H3/b13-12+
InChIKeyZWVKJFXMRQASEF-OUKQBFOZSA-N
MW290.37 g/mol
LogP3.90
Rot. Bonds3

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

3-ethyl-2-[(E)-2-(2-methylphenyl)ethenyl]quinazolin-4-one (PubChem CID 6241452) has the molecular formula C19H18N2O and a molecular weight of 290.37 g/mol. Its IUPAC name is 3-ethyl-2-[(E)-2-(2-methylphenyl)ethenyl]quinazolin-4-one.

Molecular Properties

Compound Name3-ethyl-2-[(E)-2-(2-methylphenyl)ethenyl]quinazolin-4-one
PubChem CID6241452
Molecular FormulaC19H18N2O
Molecular Weight290.37 g/mol
Exact Mass290.14
IUPAC Name3-ethyl-2-[(E)-2-(2-methylphenyl)ethenyl]quinazolin-4-one
SMILESCCn1c(/C=C/c2ccccc2C)nc2ccccc2c1=O
InChIInChI=1S/C19H18N2O/c1-3-21-18(13-12-15-9-5-4-8-14(15)2)20-17-11-7-6-10-16(17)19(21)22/h4-13H,3H2,1-2H3/b13-12+
InChIKeyZWVKJFXMRQASEF-OUKQBFOZSA-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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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-[(E)-2-(2-methylphenyl)ethenyl]quinazolin-4-one?
The IUPAC name of 3-ethyl-2-[(E)-2-(2-methylphenyl)ethenyl]quinazolin-4-one (CID 6241452) is 3-ethyl-2-[(E)-2-(2-methylphenyl)ethenyl]quinazolin-4-one.
What is the SMILES notation for 3-ethyl-2-[(E)-2-(2-methylphenyl)ethenyl]quinazolin-4-one?
The canonical SMILES for 3-ethyl-2-[(E)-2-(2-methylphenyl)ethenyl]quinazolin-4-one is CCn1c(/C=C/c2ccccc2C)nc2ccccc2c1=O.
What is the InChIKey of 3-ethyl-2-[(E)-2-(2-methylphenyl)ethenyl]quinazolin-4-one?
The InChIKey is ZWVKJFXMRQASEF-OUKQBFOZSA-N. The full InChI is InChI=1S/C19H18N2O/c1-3-21-18(13-12-15-9-5-4-8-14(15)2)20-17-11-7-6-10-16(17)19(21)22/h4-13H,3H2,1-2H3/b13-12+.
What are the key properties of 3-ethyl-2-[(E)-2-(2-methylphenyl)ethenyl]quinazolin-4-one?
3-ethyl-2-[(E)-2-(2-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-[(E)-2-(2-methylphenyl)ethenyl]quinazolin-4-one is sourced from PubChem (CID 6241452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).