2-(2-hydroxyphenyl)-5-methyl-3-(2-phenylethyl)quinazolin-4-one

C23H20N2O2 — CID 135401099

IUPAC2-(2-hydroxyphenyl)-5-methyl-3-(2-phenylethyl)quinazolin-4-one
SMILESCc1cccc2nc(-c3ccccc3O)n(CCc3ccccc3)c(=O)c12
InChIInChI=1S/C23H20N2O2/c1-16-8-7-12-19-21(16)23(27)25(15-14-17-9-3-2-4-10-17)22(24-19)18-11-5-6-13-20(18)26/h2-13,26H,14-15H2,1H3
InChIKeyUJIUSRDIMNPSIB-UHFFFAOYSA-N
MW356.43 g/mol
LogP4.32
Rot. Bonds4

About 2-(2-hydroxyphenyl)-5-methyl-3-(2-phenylethyl)quinazolin-4-one

2-(2-hydroxyphenyl)-5-methyl-3-(2-phenylethyl)quinazolin-4-one (PubChem CID 135401099) has the molecular formula C23H20N2O2 and a molecular weight of 356.43 g/mol. Its IUPAC name is 2-(2-hydroxyphenyl)-5-methyl-3-(2-phenylethyl)quinazolin-4-one.

Molecular Properties

Compound Name2-(2-hydroxyphenyl)-5-methyl-3-(2-phenylethyl)quinazolin-4-one
PubChem CID135401099
Molecular FormulaC23H20N2O2
Molecular Weight356.43 g/mol
Exact Mass356.15
IUPAC Name2-(2-hydroxyphenyl)-5-methyl-3-(2-phenylethyl)quinazolin-4-one
SMILESCc1cccc2nc(-c3ccccc3O)n(CCc3ccccc3)c(=O)c12
InChIInChI=1S/C23H20N2O2/c1-16-8-7-12-19-21(16)23(27)25(15-14-17-9-3-2-4-10-17)22(24-19)18-11-5-6-13-20(18)26/h2-13,26H,14-15H2,1H3
InChIKeyUJIUSRDIMNPSIB-UHFFFAOYSA-N
XLogP4.32
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyphenyl)-5-methyl-3-(2-phenylethyl)quinazolin-4-one?
The IUPAC name of 2-(2-hydroxyphenyl)-5-methyl-3-(2-phenylethyl)quinazolin-4-one (CID 135401099) is 2-(2-hydroxyphenyl)-5-methyl-3-(2-phenylethyl)quinazolin-4-one.
What is the SMILES notation for 2-(2-hydroxyphenyl)-5-methyl-3-(2-phenylethyl)quinazolin-4-one?
The canonical SMILES for 2-(2-hydroxyphenyl)-5-methyl-3-(2-phenylethyl)quinazolin-4-one is Cc1cccc2nc(-c3ccccc3O)n(CCc3ccccc3)c(=O)c12.
What is the InChIKey of 2-(2-hydroxyphenyl)-5-methyl-3-(2-phenylethyl)quinazolin-4-one?
The InChIKey is UJIUSRDIMNPSIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O2/c1-16-8-7-12-19-21(16)23(27)25(15-14-17-9-3-2-4-10-17)22(24-19)18-11-5-6-13-20(18)26/h2-13,26H,14-15H2,1H3.
What are the key properties of 2-(2-hydroxyphenyl)-5-methyl-3-(2-phenylethyl)quinazolin-4-one?
2-(2-hydroxyphenyl)-5-methyl-3-(2-phenylethyl)quinazolin-4-one has a molecular weight of 356.43 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyphenyl)-5-methyl-3-(2-phenylethyl)quinazolin-4-one is sourced from PubChem (CID 135401099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).