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

C23H18N2O4 — CID 135549687

IUPAC2-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-3-(3-hydroxyphenyl)quinazolin-4-one
SMILESCOc1cc(/C=C/c2nc3ccccc3c(=O)n2-c2cccc(O)c2)ccc1O
InChIInChI=1S/C23H18N2O4/c1-29-21-13-15(9-11-20(21)27)10-12-22-24-19-8-3-2-7-18(19)23(28)25(22)16-5-4-6-17(26)14-16/h2-14,26-27H,1H3/b12-10+
InChIKeyLGLDWERJNHENLY-ZRDIBKRKSA-N
MW386.41 g/mol
LogP3.98
Rot. Bonds4

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

2-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-3-(3-hydroxyphenyl)quinazolin-4-one (PubChem CID 135549687) has the molecular formula C23H18N2O4 and a molecular weight of 386.41 g/mol. Its IUPAC name is 2-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-3-(3-hydroxyphenyl)quinazolin-4-one.

Molecular Properties

Compound Name2-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-3-(3-hydroxyphenyl)quinazolin-4-one
PubChem CID135549687
Molecular FormulaC23H18N2O4
Molecular Weight386.41 g/mol
Exact Mass386.13
IUPAC Name2-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-3-(3-hydroxyphenyl)quinazolin-4-one
SMILESCOc1cc(/C=C/c2nc3ccccc3c(=O)n2-c2cccc(O)c2)ccc1O
InChIInChI=1S/C23H18N2O4/c1-29-21-13-15(9-11-20(21)27)10-12-22-24-19-8-3-2-7-18(19)23(28)25(22)16-5-4-6-17(26)14-16/h2-14,26-27H,1H3/b12-10+
InChIKeyLGLDWERJNHENLY-ZRDIBKRKSA-N
XLogP3.98
TPSA84.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.41
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-3-(3-hydroxyphenyl)quinazolin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-3-(3-hydroxyphenyl)quinazolin-4-one?
The IUPAC name of 2-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-3-(3-hydroxyphenyl)quinazolin-4-one (CID 135549687) is 2-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-3-(3-hydroxyphenyl)quinazolin-4-one.
What is the SMILES notation for 2-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-3-(3-hydroxyphenyl)quinazolin-4-one?
The canonical SMILES for 2-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-3-(3-hydroxyphenyl)quinazolin-4-one is COc1cc(/C=C/c2nc3ccccc3c(=O)n2-c2cccc(O)c2)ccc1O.
What is the InChIKey of 2-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-3-(3-hydroxyphenyl)quinazolin-4-one?
The InChIKey is LGLDWERJNHENLY-ZRDIBKRKSA-N. The full InChI is InChI=1S/C23H18N2O4/c1-29-21-13-15(9-11-20(21)27)10-12-22-24-19-8-3-2-7-18(19)23(28)25(22)16-5-4-6-17(26)14-16/h2-14,26-27H,1H3/b12-10+.
What are the key properties of 2-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-3-(3-hydroxyphenyl)quinazolin-4-one?
2-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-3-(3-hydroxyphenyl)quinazolin-4-one has a molecular weight of 386.41 g/mol, XLogP of 3.98, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-3-(3-hydroxyphenyl)quinazolin-4-one is sourced from PubChem (CID 135549687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).