2-(2-hydroxyphenyl)-3-[3-(trifluoromethyl)phenyl]-1,2-dihydroquinazolin-4-one

C21H15F3N2O2 — CID 60587937

IUPAC2-(2-hydroxyphenyl)-3-[3-(trifluoromethyl)phenyl]-1,2-dihydroquinazolin-4-one
SMILESO=C1c2ccccc2NC(c2ccccc2O)N1c1cccc(C(F)(F)F)c1
InChIInChI=1S/C21H15F3N2O2/c22-21(23,24)13-6-5-7-14(12-13)26-19(16-9-2-4-11-18(16)27)25-17-10-3-1-8-15(17)20(26)28/h1-12,19,25,27H
InChIKeySMJXBYXMEPPSJL-UHFFFAOYSA-N
MW384.36 g/mol
LogP5.18
Rot. Bonds2

About 2-(2-hydroxyphenyl)-3-[3-(trifluoromethyl)phenyl]-1,2-dihydroquinazolin-4-one

2-(2-hydroxyphenyl)-3-[3-(trifluoromethyl)phenyl]-1,2-dihydroquinazolin-4-one (PubChem CID 60587937) has the molecular formula C21H15F3N2O2 and a molecular weight of 384.36 g/mol. Its IUPAC name is 2-(2-hydroxyphenyl)-3-[3-(trifluoromethyl)phenyl]-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name2-(2-hydroxyphenyl)-3-[3-(trifluoromethyl)phenyl]-1,2-dihydroquinazolin-4-one
PubChem CID60587937
Molecular FormulaC21H15F3N2O2
Molecular Weight384.36 g/mol
Exact Mass384.11
IUPAC Name2-(2-hydroxyphenyl)-3-[3-(trifluoromethyl)phenyl]-1,2-dihydroquinazolin-4-one
SMILESO=C1c2ccccc2NC(c2ccccc2O)N1c1cccc(C(F)(F)F)c1
InChIInChI=1S/C21H15F3N2O2/c22-21(23,24)13-6-5-7-14(12-13)26-19(16-9-2-4-11-18(16)27)25-17-10-3-1-8-15(17)20(26)28/h1-12,19,25,27H
InChIKeySMJXBYXMEPPSJL-UHFFFAOYSA-N
XLogP5.18
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.36
LogP ≤ 55.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Analyze 2-(2-hydroxyphenyl)-3-[3-(trifluoromethyl)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

Related Compounds

(2S)-2-phenyl-3-[3-(trifluoromethyl)phenyl]-1,2-dihydroquinazolin-4-one
CID 1037972
2-(3-hydroxyphenyl)-3-[3-(trifluoromethyl)phenyl]-1,2-dihydroquinazolin-4-one
CID 60588184
2-(2-hydroxy-4-methoxyphenyl)-3-(4-methoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 3846487
(2R)-3-(4-chlorophenyl)-2-[2-(trifluoromethyl)phenyl]-1,2-dihydroquinazolin-4-one
CID 7027439
3-(4-butylphenyl)-2-(2-hydroxyphenyl)-1,2-dihydroquinazolin-4-one
CID 176687363
(2R)-2-(2-hydroxy-3-methoxyphenyl)-3-(3-methylphenyl)-1,2-dihydroquinazolin-4-one
CID 9007882
(2R)-3-(3-methylphenyl)-2-(2-nitrophenyl)-1,2-dihydroquinazolin-4-one
CID 9011989
(3R)-2-[3,5-bis(trifluoromethyl)phenyl]-3-hydroxy-3H-isoindol-1-one
CID 132539406
(2R)-2-(2,3-dihydroxyphenyl)-3-(4-ethoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 9006631
2-(2-fluoro-4-methoxyphenyl)-3-phenyl-1,2-dihydroquinazolin-4-one
CID 155803459
2-(3,5-dibromo-2-hydroxyphenyl)-3-(4-fluorophenyl)-1,2-dihydroquinazolin-4-one
CID 176687452
(2S)-2-(3-bromo-4-hydroxyphenyl)-3-(3-methoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 25354877

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyphenyl)-3-[3-(trifluoromethyl)phenyl]-1,2-dihydroquinazolin-4-one?
The IUPAC name of 2-(2-hydroxyphenyl)-3-[3-(trifluoromethyl)phenyl]-1,2-dihydroquinazolin-4-one (CID 60587937) is 2-(2-hydroxyphenyl)-3-[3-(trifluoromethyl)phenyl]-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for 2-(2-hydroxyphenyl)-3-[3-(trifluoromethyl)phenyl]-1,2-dihydroquinazolin-4-one?
The canonical SMILES for 2-(2-hydroxyphenyl)-3-[3-(trifluoromethyl)phenyl]-1,2-dihydroquinazolin-4-one is O=C1c2ccccc2NC(c2ccccc2O)N1c1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-(2-hydroxyphenyl)-3-[3-(trifluoromethyl)phenyl]-1,2-dihydroquinazolin-4-one?
The InChIKey is SMJXBYXMEPPSJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F3N2O2/c22-21(23,24)13-6-5-7-14(12-13)26-19(16-9-2-4-11-18(16)27)25-17-10-3-1-8-15(17)20(26)28/h1-12,19,25,27H.
What are the key properties of 2-(2-hydroxyphenyl)-3-[3-(trifluoromethyl)phenyl]-1,2-dihydroquinazolin-4-one?
2-(2-hydroxyphenyl)-3-[3-(trifluoromethyl)phenyl]-1,2-dihydroquinazolin-4-one has a molecular weight of 384.36 g/mol, XLogP of 5.18, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyphenyl)-3-[3-(trifluoromethyl)phenyl]-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 60587937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).