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

C21H15F3N2O2 — CID 60588184

IUPAC2-(3-hydroxyphenyl)-3-[3-(trifluoromethyl)phenyl]-1,2-dihydroquinazolin-4-one
SMILESO=C1c2ccccc2NC(c2cccc(O)c2)N1c1cccc(C(F)(F)F)c1
InChIInChI=1S/C21H15F3N2O2/c22-21(23,24)14-6-4-7-15(12-14)26-19(13-5-3-8-16(27)11-13)25-18-10-2-1-9-17(18)20(26)28/h1-12,19,25,27H
InChIKeyXKHQDTNRFNHQNM-UHFFFAOYSA-N
MW384.36 g/mol
LogP5.18
Rot. Bonds2

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

2-(3-hydroxyphenyl)-3-[3-(trifluoromethyl)phenyl]-1,2-dihydroquinazolin-4-one (PubChem CID 60588184) has the molecular formula C21H15F3N2O2 and a molecular weight of 384.36 g/mol. Its IUPAC name is 2-(3-hydroxyphenyl)-3-[3-(trifluoromethyl)phenyl]-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name2-(3-hydroxyphenyl)-3-[3-(trifluoromethyl)phenyl]-1,2-dihydroquinazolin-4-one
PubChem CID60588184
Molecular FormulaC21H15F3N2O2
Molecular Weight384.36 g/mol
Exact Mass384.11
IUPAC Name2-(3-hydroxyphenyl)-3-[3-(trifluoromethyl)phenyl]-1,2-dihydroquinazolin-4-one
SMILESO=C1c2ccccc2NC(c2cccc(O)c2)N1c1cccc(C(F)(F)F)c1
InChIInChI=1S/C21H15F3N2O2/c22-21(23,24)14-6-4-7-15(12-14)26-19(13-5-3-8-16(27)11-13)25-18-10-2-1-9-17(18)20(26)28/h1-12,19,25,27H
InChIKeyXKHQDTNRFNHQNM-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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxyphenyl)-3-[3-(trifluoromethyl)phenyl]-1,2-dihydroquinazolin-4-one?
The IUPAC name of 2-(3-hydroxyphenyl)-3-[3-(trifluoromethyl)phenyl]-1,2-dihydroquinazolin-4-one (CID 60588184) is 2-(3-hydroxyphenyl)-3-[3-(trifluoromethyl)phenyl]-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for 2-(3-hydroxyphenyl)-3-[3-(trifluoromethyl)phenyl]-1,2-dihydroquinazolin-4-one?
The canonical SMILES for 2-(3-hydroxyphenyl)-3-[3-(trifluoromethyl)phenyl]-1,2-dihydroquinazolin-4-one is O=C1c2ccccc2NC(c2cccc(O)c2)N1c1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-(3-hydroxyphenyl)-3-[3-(trifluoromethyl)phenyl]-1,2-dihydroquinazolin-4-one?
The InChIKey is XKHQDTNRFNHQNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F3N2O2/c22-21(23,24)14-6-4-7-15(12-14)26-19(13-5-3-8-16(27)11-13)25-18-10-2-1-9-17(18)20(26)28/h1-12,19,25,27H.
What are the key properties of 2-(3-hydroxyphenyl)-3-[3-(trifluoromethyl)phenyl]-1,2-dihydroquinazolin-4-one?
2-(3-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-(3-hydroxyphenyl)-3-[3-(trifluoromethyl)phenyl]-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 60588184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).