3-benzyl-2-[(E)-2-(2-methoxyphenyl)ethenyl]quinazolin-4-one

C24H20N2O2 — CID 53245564

IUPAC3-benzyl-2-[(E)-2-(2-methoxyphenyl)ethenyl]quinazolin-4-one
SMILESCOc1ccccc1/C=C/c1nc2ccccc2c(=O)n1Cc1ccccc1
InChIInChI=1S/C24H20N2O2/c1-28-22-14-8-5-11-19(22)15-16-23-25-21-13-7-6-12-20(21)24(27)26(23)17-18-9-3-2-4-10-18/h2-16H,17H2,1H3/b16-15+
InChIKeyLFPSKKPZSSYCOR-FOCLMDBBSA-N
MW368.44 g/mol
LogP4.62
Rot. Bonds5

About 3-benzyl-2-[(E)-2-(2-methoxyphenyl)ethenyl]quinazolin-4-one

3-benzyl-2-[(E)-2-(2-methoxyphenyl)ethenyl]quinazolin-4-one (PubChem CID 53245564) has the molecular formula C24H20N2O2 and a molecular weight of 368.44 g/mol. Its IUPAC name is 3-benzyl-2-[(E)-2-(2-methoxyphenyl)ethenyl]quinazolin-4-one.

Molecular Properties

Compound Name3-benzyl-2-[(E)-2-(2-methoxyphenyl)ethenyl]quinazolin-4-one
PubChem CID53245564
Molecular FormulaC24H20N2O2
Molecular Weight368.44 g/mol
Exact Mass368.15
IUPAC Name3-benzyl-2-[(E)-2-(2-methoxyphenyl)ethenyl]quinazolin-4-one
SMILESCOc1ccccc1/C=C/c1nc2ccccc2c(=O)n1Cc1ccccc1
InChIInChI=1S/C24H20N2O2/c1-28-22-14-8-5-11-19(22)15-16-23-25-21-13-7-6-12-20(21)24(27)26(23)17-18-9-3-2-4-10-18/h2-16H,17H2,1H3/b16-15+
InChIKeyLFPSKKPZSSYCOR-FOCLMDBBSA-N
XLogP4.62
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-2-[(E)-2-(2-methoxyphenyl)ethenyl]quinazolin-4-one?
The IUPAC name of 3-benzyl-2-[(E)-2-(2-methoxyphenyl)ethenyl]quinazolin-4-one (CID 53245564) is 3-benzyl-2-[(E)-2-(2-methoxyphenyl)ethenyl]quinazolin-4-one.
What is the SMILES notation for 3-benzyl-2-[(E)-2-(2-methoxyphenyl)ethenyl]quinazolin-4-one?
The canonical SMILES for 3-benzyl-2-[(E)-2-(2-methoxyphenyl)ethenyl]quinazolin-4-one is COc1ccccc1/C=C/c1nc2ccccc2c(=O)n1Cc1ccccc1.
What is the InChIKey of 3-benzyl-2-[(E)-2-(2-methoxyphenyl)ethenyl]quinazolin-4-one?
The InChIKey is LFPSKKPZSSYCOR-FOCLMDBBSA-N. The full InChI is InChI=1S/C24H20N2O2/c1-28-22-14-8-5-11-19(22)15-16-23-25-21-13-7-6-12-20(21)24(27)26(23)17-18-9-3-2-4-10-18/h2-16H,17H2,1H3/b16-15+.
What are the key properties of 3-benzyl-2-[(E)-2-(2-methoxyphenyl)ethenyl]quinazolin-4-one?
3-benzyl-2-[(E)-2-(2-methoxyphenyl)ethenyl]quinazolin-4-one has a molecular weight of 368.44 g/mol, XLogP of 4.62, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-2-[(E)-2-(2-methoxyphenyl)ethenyl]quinazolin-4-one is sourced from PubChem (CID 53245564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).