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

C23H18N2O2 — CID 135419110

IUPAC2-[(E)-2-(4-hydroxyphenyl)ethenyl]-3-(2-methylphenyl)quinazolin-4-one
SMILESCc1ccccc1-n1c(/C=C/c2ccc(O)cc2)nc2ccccc2c1=O
InChIInChI=1S/C23H18N2O2/c1-16-6-2-5-9-21(16)25-22(15-12-17-10-13-18(26)14-11-17)24-20-8-4-3-7-19(20)23(25)27/h2-15,26H,1H3/b15-12+
InChIKeyPQUZIARZYGKQEF-NTCAYCPXSA-N
MW354.41 g/mol
LogP4.57
Rot. Bonds3

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

2-[(E)-2-(4-hydroxyphenyl)ethenyl]-3-(2-methylphenyl)quinazolin-4-one (PubChem CID 135419110) has the molecular formula C23H18N2O2 and a molecular weight of 354.41 g/mol. Its IUPAC name is 2-[(E)-2-(4-hydroxyphenyl)ethenyl]-3-(2-methylphenyl)quinazolin-4-one.

Molecular Properties

Compound Name2-[(E)-2-(4-hydroxyphenyl)ethenyl]-3-(2-methylphenyl)quinazolin-4-one
PubChem CID135419110
Molecular FormulaC23H18N2O2
Molecular Weight354.41 g/mol
Exact Mass354.14
IUPAC Name2-[(E)-2-(4-hydroxyphenyl)ethenyl]-3-(2-methylphenyl)quinazolin-4-one
SMILESCc1ccccc1-n1c(/C=C/c2ccc(O)cc2)nc2ccccc2c1=O
InChIInChI=1S/C23H18N2O2/c1-16-6-2-5-9-21(16)25-22(15-12-17-10-13-18(26)14-11-17)24-20-8-4-3-7-19(20)23(25)27/h2-15,26H,1H3/b15-12+
InChIKeyPQUZIARZYGKQEF-NTCAYCPXSA-N
XLogP4.57
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(4-hydroxyphenyl)ethenyl]-3-(2-methylphenyl)quinazolin-4-one?
The IUPAC name of 2-[(E)-2-(4-hydroxyphenyl)ethenyl]-3-(2-methylphenyl)quinazolin-4-one (CID 135419110) is 2-[(E)-2-(4-hydroxyphenyl)ethenyl]-3-(2-methylphenyl)quinazolin-4-one.
What is the SMILES notation for 2-[(E)-2-(4-hydroxyphenyl)ethenyl]-3-(2-methylphenyl)quinazolin-4-one?
The canonical SMILES for 2-[(E)-2-(4-hydroxyphenyl)ethenyl]-3-(2-methylphenyl)quinazolin-4-one is Cc1ccccc1-n1c(/C=C/c2ccc(O)cc2)nc2ccccc2c1=O.
What is the InChIKey of 2-[(E)-2-(4-hydroxyphenyl)ethenyl]-3-(2-methylphenyl)quinazolin-4-one?
The InChIKey is PQUZIARZYGKQEF-NTCAYCPXSA-N. The full InChI is InChI=1S/C23H18N2O2/c1-16-6-2-5-9-21(16)25-22(15-12-17-10-13-18(26)14-11-17)24-20-8-4-3-7-19(20)23(25)27/h2-15,26H,1H3/b15-12+.
What are the key properties of 2-[(E)-2-(4-hydroxyphenyl)ethenyl]-3-(2-methylphenyl)quinazolin-4-one?
2-[(E)-2-(4-hydroxyphenyl)ethenyl]-3-(2-methylphenyl)quinazolin-4-one has a molecular weight of 354.41 g/mol, XLogP of 4.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(4-hydroxyphenyl)ethenyl]-3-(2-methylphenyl)quinazolin-4-one is sourced from PubChem (CID 135419110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).