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

C22H18N2O2 — CID 135418418

IUPAC2-(2-hydroxyphenyl)-3-(2-phenylethyl)quinazolin-4-one
SMILESO=c1c2ccccc2nc(-c2ccccc2O)n1CCc1ccccc1
InChIInChI=1S/C22H18N2O2/c25-20-13-7-5-11-18(20)21-23-19-12-6-4-10-17(19)22(26)24(21)15-14-16-8-2-1-3-9-16/h1-13,25H,14-15H2
InChIKeyVQTHMGSYEABTGU-UHFFFAOYSA-N
MW342.40 g/mol
LogP4.01
Rot. Bonds4

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

2-(2-hydroxyphenyl)-3-(2-phenylethyl)quinazolin-4-one (PubChem CID 135418418) has the molecular formula C22H18N2O2 and a molecular weight of 342.40 g/mol. Its IUPAC name is 2-(2-hydroxyphenyl)-3-(2-phenylethyl)quinazolin-4-one.

Molecular Properties

Compound Name2-(2-hydroxyphenyl)-3-(2-phenylethyl)quinazolin-4-one
PubChem CID135418418
Molecular FormulaC22H18N2O2
Molecular Weight342.40 g/mol
Exact Mass342.14
IUPAC Name2-(2-hydroxyphenyl)-3-(2-phenylethyl)quinazolin-4-one
SMILESO=c1c2ccccc2nc(-c2ccccc2O)n1CCc1ccccc1
InChIInChI=1S/C22H18N2O2/c25-20-13-7-5-11-18(20)21-23-19-12-6-4-10-17(19)22(26)24(21)15-14-16-8-2-1-3-9-16/h1-13,25H,14-15H2
InChIKeyVQTHMGSYEABTGU-UHFFFAOYSA-N
XLogP4.01
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyphenyl)-3-(2-phenylethyl)quinazolin-4-one?
The IUPAC name of 2-(2-hydroxyphenyl)-3-(2-phenylethyl)quinazolin-4-one (CID 135418418) is 2-(2-hydroxyphenyl)-3-(2-phenylethyl)quinazolin-4-one.
What is the SMILES notation for 2-(2-hydroxyphenyl)-3-(2-phenylethyl)quinazolin-4-one?
The canonical SMILES for 2-(2-hydroxyphenyl)-3-(2-phenylethyl)quinazolin-4-one is O=c1c2ccccc2nc(-c2ccccc2O)n1CCc1ccccc1.
What is the InChIKey of 2-(2-hydroxyphenyl)-3-(2-phenylethyl)quinazolin-4-one?
The InChIKey is VQTHMGSYEABTGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O2/c25-20-13-7-5-11-18(20)21-23-19-12-6-4-10-17(19)22(26)24(21)15-14-16-8-2-1-3-9-16/h1-13,25H,14-15H2.
What are the key properties of 2-(2-hydroxyphenyl)-3-(2-phenylethyl)quinazolin-4-one?
2-(2-hydroxyphenyl)-3-(2-phenylethyl)quinazolin-4-one has a molecular weight of 342.40 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyphenyl)-3-(2-phenylethyl)quinazolin-4-one is sourced from PubChem (CID 135418418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).