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

C21H16N2O2 — CID 714813

IUPAC2-benzyl-3-(3-hydroxyphenyl)quinazolin-4-one
SMILESO=c1c2ccccc2nc(Cc2ccccc2)n1-c1cccc(O)c1
InChIInChI=1S/C21H16N2O2/c24-17-10-6-9-16(14-17)23-20(13-15-7-2-1-3-8-15)22-19-12-5-4-11-18(19)21(23)25/h1-12,14,24H,13H2
InChIKeyHRUINIRLCYCNOL-UHFFFAOYSA-N
MW328.37 g/mol
LogP3.68
Rot. Bonds3

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

2-benzyl-3-(3-hydroxyphenyl)quinazolin-4-one (PubChem CID 714813) has the molecular formula C21H16N2O2 and a molecular weight of 328.37 g/mol. Its IUPAC name is 2-benzyl-3-(3-hydroxyphenyl)quinazolin-4-one.

Molecular Properties

Compound Name2-benzyl-3-(3-hydroxyphenyl)quinazolin-4-one
PubChem CID714813
Molecular FormulaC21H16N2O2
Molecular Weight328.37 g/mol
Exact Mass328.12
IUPAC Name2-benzyl-3-(3-hydroxyphenyl)quinazolin-4-one
SMILESO=c1c2ccccc2nc(Cc2ccccc2)n1-c1cccc(O)c1
InChIInChI=1S/C21H16N2O2/c24-17-10-6-9-16(14-17)23-20(13-15-7-2-1-3-8-15)22-19-12-5-4-11-18(19)21(23)25/h1-12,14,24H,13H2
InChIKeyHRUINIRLCYCNOL-UHFFFAOYSA-N
XLogP3.68
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-3-(3-hydroxyphenyl)quinazolin-4-one?
The IUPAC name of 2-benzyl-3-(3-hydroxyphenyl)quinazolin-4-one (CID 714813) is 2-benzyl-3-(3-hydroxyphenyl)quinazolin-4-one.
What is the SMILES notation for 2-benzyl-3-(3-hydroxyphenyl)quinazolin-4-one?
The canonical SMILES for 2-benzyl-3-(3-hydroxyphenyl)quinazolin-4-one is O=c1c2ccccc2nc(Cc2ccccc2)n1-c1cccc(O)c1.
What is the InChIKey of 2-benzyl-3-(3-hydroxyphenyl)quinazolin-4-one?
The InChIKey is HRUINIRLCYCNOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2O2/c24-17-10-6-9-16(14-17)23-20(13-15-7-2-1-3-8-15)22-19-12-5-4-11-18(19)21(23)25/h1-12,14,24H,13H2.
What are the key properties of 2-benzyl-3-(3-hydroxyphenyl)quinazolin-4-one?
2-benzyl-3-(3-hydroxyphenyl)quinazolin-4-one has a molecular weight of 328.37 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-3-(3-hydroxyphenyl)quinazolin-4-one is sourced from PubChem (CID 714813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).