2-(3-ethoxy-4-hydroxyphenyl)-3-phenyl-1,2-dihydroquinazolin-4-one

C22H20N2O3 — CID 653058

IUPAC2-(3-ethoxy-4-hydroxyphenyl)-3-phenyl-1,2-dihydroquinazolin-4-one
SMILESCCOc1cc(C2Nc3ccccc3C(=O)N2c2ccccc2)ccc1O
InChIInChI=1S/C22H20N2O3/c1-2-27-20-14-15(12-13-19(20)25)21-23-18-11-7-6-10-17(18)22(26)24(21)16-8-4-3-5-9-16/h3-14,21,23,25H,2H2,1H3
InChIKeyXOCHAOUYLQXXBR-UHFFFAOYSA-N
MW360.41 g/mol
LogP4.56
Rot. Bonds4

About 2-(3-ethoxy-4-hydroxyphenyl)-3-phenyl-1,2-dihydroquinazolin-4-one

2-(3-ethoxy-4-hydroxyphenyl)-3-phenyl-1,2-dihydroquinazolin-4-one (PubChem CID 653058) has the molecular formula C22H20N2O3 and a molecular weight of 360.41 g/mol. Its IUPAC name is 2-(3-ethoxy-4-hydroxyphenyl)-3-phenyl-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name2-(3-ethoxy-4-hydroxyphenyl)-3-phenyl-1,2-dihydroquinazolin-4-one
PubChem CID653058
Molecular FormulaC22H20N2O3
Molecular Weight360.41 g/mol
Exact Mass360.15
IUPAC Name2-(3-ethoxy-4-hydroxyphenyl)-3-phenyl-1,2-dihydroquinazolin-4-one
SMILESCCOc1cc(C2Nc3ccccc3C(=O)N2c2ccccc2)ccc1O
InChIInChI=1S/C22H20N2O3/c1-2-27-20-14-15(12-13-19(20)25)21-23-18-11-7-6-10-17(18)22(26)24(21)16-8-4-3-5-9-16/h3-14,21,23,25H,2H2,1H3
InChIKeyXOCHAOUYLQXXBR-UHFFFAOYSA-N
XLogP4.56
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(3-ethoxy-4-hydroxyphenyl)-3-phenyl-1,2-dihydroquinazolin-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-(3-ethoxy-4-hydroxyphenyl)-3-phenyl-1,2-dihydroquinazolin-4-one?
The IUPAC name of 2-(3-ethoxy-4-hydroxyphenyl)-3-phenyl-1,2-dihydroquinazolin-4-one (CID 653058) is 2-(3-ethoxy-4-hydroxyphenyl)-3-phenyl-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for 2-(3-ethoxy-4-hydroxyphenyl)-3-phenyl-1,2-dihydroquinazolin-4-one?
The canonical SMILES for 2-(3-ethoxy-4-hydroxyphenyl)-3-phenyl-1,2-dihydroquinazolin-4-one is CCOc1cc(C2Nc3ccccc3C(=O)N2c2ccccc2)ccc1O.
What is the InChIKey of 2-(3-ethoxy-4-hydroxyphenyl)-3-phenyl-1,2-dihydroquinazolin-4-one?
The InChIKey is XOCHAOUYLQXXBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O3/c1-2-27-20-14-15(12-13-19(20)25)21-23-18-11-7-6-10-17(18)22(26)24(21)16-8-4-3-5-9-16/h3-14,21,23,25H,2H2,1H3.
What are the key properties of 2-(3-ethoxy-4-hydroxyphenyl)-3-phenyl-1,2-dihydroquinazolin-4-one?
2-(3-ethoxy-4-hydroxyphenyl)-3-phenyl-1,2-dihydroquinazolin-4-one has a molecular weight of 360.41 g/mol, XLogP of 4.56, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethoxy-4-hydroxyphenyl)-3-phenyl-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 653058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).