3-[2-(4-hydroxyphenyl)ethyl]-2-phenylquinazolin-4-one

C22H18N2O2 — CID 142893421

IUPAC3-[2-(4-hydroxyphenyl)ethyl]-2-phenylquinazolin-4-one
SMILESO=c1c2ccccc2nc(-c2ccccc2)n1CCc1ccc(O)cc1
InChIInChI=1S/C22H18N2O2/c25-18-12-10-16(11-13-18)14-15-24-21(17-6-2-1-3-7-17)23-20-9-5-4-8-19(20)22(24)26/h1-13,25H,14-15H2
InChIKeyAASMJSIZAXQDBZ-UHFFFAOYSA-N
MW342.40 g/mol
LogP4.01
Rot. Bonds4

About 3-[2-(4-hydroxyphenyl)ethyl]-2-phenylquinazolin-4-one

3-[2-(4-hydroxyphenyl)ethyl]-2-phenylquinazolin-4-one (PubChem CID 142893421) has the molecular formula C22H18N2O2 and a molecular weight of 342.40 g/mol. Its IUPAC name is 3-[2-(4-hydroxyphenyl)ethyl]-2-phenylquinazolin-4-one.

Molecular Properties

Compound Name3-[2-(4-hydroxyphenyl)ethyl]-2-phenylquinazolin-4-one
PubChem CID142893421
Molecular FormulaC22H18N2O2
Molecular Weight342.40 g/mol
Exact Mass342.14
IUPAC Name3-[2-(4-hydroxyphenyl)ethyl]-2-phenylquinazolin-4-one
SMILESO=c1c2ccccc2nc(-c2ccccc2)n1CCc1ccc(O)cc1
InChIInChI=1S/C22H18N2O2/c25-18-12-10-16(11-13-18)14-15-24-21(17-6-2-1-3-7-17)23-20-9-5-4-8-19(20)22(24)26/h1-13,25H,14-15H2
InChIKeyAASMJSIZAXQDBZ-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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Related Compounds

3-[2-(4-methoxyphenyl)ethyl]-2-(4-phenylphenyl)quinazolin-4-one
CID 17035993
3-(2-hydroxyethyl)-2-phenylquinazolin-4-one
CID 854542
2-[2-(4-hydroxyphenyl)-4-oxoquinazolin-3-yl]acetonitrile
CID 137155254
3-ethyl-2-phenylquinazolin-4-one
CID 12626608
3-hexyl-2-phenylquinazolin-4-one
CID 7559853
2-(4-methylphenyl)-3-[(4-methylphenyl)methyl]quinazolin-4-one
CID 17036011
bis(3-(4-oxo-2-phenylquinazolin-3-yl)propanoic acid);piperazine
CID 3053641
4-[2-(4-hydroxyphenyl)ethyl]-3-phenyl-1H-1,2,4-triazole-5-thione
CID 146562924
3-[3-(diethylamino)propyl]-2-phenylquinazolin-4-one
CID 23736145
3-[2-(ethylamino)ethyl]-2-(4-methylphenyl)quinazolin-4-one
CID 22484643
3-(2-bromoethyl)-2-(4-chlorophenyl)quinazolin-4-one
CID 18315900
3-[2-(6-fluoro-1H-indol-3-yl)ethyl]-2-phenylquinazolin-4-one
CID 17038074

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-hydroxyphenyl)ethyl]-2-phenylquinazolin-4-one?
The IUPAC name of 3-[2-(4-hydroxyphenyl)ethyl]-2-phenylquinazolin-4-one (CID 142893421) is 3-[2-(4-hydroxyphenyl)ethyl]-2-phenylquinazolin-4-one.
What is the SMILES notation for 3-[2-(4-hydroxyphenyl)ethyl]-2-phenylquinazolin-4-one?
The canonical SMILES for 3-[2-(4-hydroxyphenyl)ethyl]-2-phenylquinazolin-4-one is O=c1c2ccccc2nc(-c2ccccc2)n1CCc1ccc(O)cc1.
What is the InChIKey of 3-[2-(4-hydroxyphenyl)ethyl]-2-phenylquinazolin-4-one?
The InChIKey is AASMJSIZAXQDBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O2/c25-18-12-10-16(11-13-18)14-15-24-21(17-6-2-1-3-7-17)23-20-9-5-4-8-19(20)22(24)26/h1-13,25H,14-15H2.
What are the key properties of 3-[2-(4-hydroxyphenyl)ethyl]-2-phenylquinazolin-4-one?
3-[2-(4-hydroxyphenyl)ethyl]-2-phenylquinazolin-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 3-[2-(4-hydroxyphenyl)ethyl]-2-phenylquinazolin-4-one is sourced from PubChem (CID 142893421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).