6-amino-3-(4-hydroxyphenyl)-2-(trifluoromethyl)quinazolin-4-one

C15H10F3N3O2 — CID 16641661

IUPAC6-amino-3-(4-hydroxyphenyl)-2-(trifluoromethyl)quinazolin-4-one
SMILESNc1ccc2nc(C(F)(F)F)n(-c3ccc(O)cc3)c(=O)c2c1
InChIInChI=1S/C15H10F3N3O2/c16-15(17,18)14-20-12-6-1-8(19)7-11(12)13(23)21(14)9-2-4-10(22)5-3-9/h1-7,22H,19H2
InChIKeyGFLPFOZVHIAMAC-UHFFFAOYSA-N
MW321.26 g/mol
LogP2.69
Rot. Bonds1

About 6-amino-3-(4-hydroxyphenyl)-2-(trifluoromethyl)quinazolin-4-one

6-amino-3-(4-hydroxyphenyl)-2-(trifluoromethyl)quinazolin-4-one (PubChem CID 16641661) has the molecular formula C15H10F3N3O2 and a molecular weight of 321.26 g/mol. Its IUPAC name is 6-amino-3-(4-hydroxyphenyl)-2-(trifluoromethyl)quinazolin-4-one.

Molecular Properties

Compound Name6-amino-3-(4-hydroxyphenyl)-2-(trifluoromethyl)quinazolin-4-one
PubChem CID16641661
Molecular FormulaC15H10F3N3O2
Molecular Weight321.26 g/mol
Exact Mass321.07
IUPAC Name6-amino-3-(4-hydroxyphenyl)-2-(trifluoromethyl)quinazolin-4-one
SMILESNc1ccc2nc(C(F)(F)F)n(-c3ccc(O)cc3)c(=O)c2c1
InChIInChI=1S/C15H10F3N3O2/c16-15(17,18)14-20-12-6-1-8(19)7-11(12)13(23)21(14)9-2-4-10(22)5-3-9/h1-7,22H,19H2
InChIKeyGFLPFOZVHIAMAC-UHFFFAOYSA-N
XLogP2.69
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.26
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-amino-3-(4-hydroxyphenyl)-2-(trifluoromethyl)quinazolin-4-one?
The IUPAC name of 6-amino-3-(4-hydroxyphenyl)-2-(trifluoromethyl)quinazolin-4-one (CID 16641661) is 6-amino-3-(4-hydroxyphenyl)-2-(trifluoromethyl)quinazolin-4-one.
What is the SMILES notation for 6-amino-3-(4-hydroxyphenyl)-2-(trifluoromethyl)quinazolin-4-one?
The canonical SMILES for 6-amino-3-(4-hydroxyphenyl)-2-(trifluoromethyl)quinazolin-4-one is Nc1ccc2nc(C(F)(F)F)n(-c3ccc(O)cc3)c(=O)c2c1.
What is the InChIKey of 6-amino-3-(4-hydroxyphenyl)-2-(trifluoromethyl)quinazolin-4-one?
The InChIKey is GFLPFOZVHIAMAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F3N3O2/c16-15(17,18)14-20-12-6-1-8(19)7-11(12)13(23)21(14)9-2-4-10(22)5-3-9/h1-7,22H,19H2.
What are the key properties of 6-amino-3-(4-hydroxyphenyl)-2-(trifluoromethyl)quinazolin-4-one?
6-amino-3-(4-hydroxyphenyl)-2-(trifluoromethyl)quinazolin-4-one has a molecular weight of 321.26 g/mol, XLogP of 2.69, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3-(4-hydroxyphenyl)-2-(trifluoromethyl)quinazolin-4-one is sourced from PubChem (CID 16641661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).