8-hydroxy-2-[4-(trifluoromethyl)phenyl]-3H-quinazolin-4-one

C15H9F3N2O2 — CID 135417291

IUPAC8-hydroxy-2-[4-(trifluoromethyl)phenyl]-3H-quinazolin-4-one
SMILESO=c1[nH]c(-c2ccc(C(F)(F)F)cc2)nc2c(O)cccc12
InChIInChI=1S/C15H9F3N2O2/c16-15(17,18)9-6-4-8(5-7-9)13-19-12-10(14(22)20-13)2-1-3-11(12)21/h1-7,21H,(H,19,20,22)
InChIKeyZZCRCAHSCCNAPB-UHFFFAOYSA-N
MW306.24 g/mol
LogP3.31
Rot. Bonds1

About 8-hydroxy-2-[4-(trifluoromethyl)phenyl]-3H-quinazolin-4-one

8-hydroxy-2-[4-(trifluoromethyl)phenyl]-3H-quinazolin-4-one (PubChem CID 135417291) has the molecular formula C15H9F3N2O2 and a molecular weight of 306.24 g/mol. Its IUPAC name is 8-hydroxy-2-[4-(trifluoromethyl)phenyl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name8-hydroxy-2-[4-(trifluoromethyl)phenyl]-3H-quinazolin-4-one
PubChem CID135417291
Molecular FormulaC15H9F3N2O2
Molecular Weight306.24 g/mol
Exact Mass306.06
IUPAC Name8-hydroxy-2-[4-(trifluoromethyl)phenyl]-3H-quinazolin-4-one
SMILESO=c1[nH]c(-c2ccc(C(F)(F)F)cc2)nc2c(O)cccc12
InChIInChI=1S/C15H9F3N2O2/c16-15(17,18)9-6-4-8(5-7-9)13-19-12-10(14(22)20-13)2-1-3-11(12)21/h1-7,21H,(H,19,20,22)
InChIKeyZZCRCAHSCCNAPB-UHFFFAOYSA-N
XLogP3.31
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.24
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-hydroxy-2-[4-(trifluoromethyl)phenyl]-3H-quinazolin-4-one?
The IUPAC name of 8-hydroxy-2-[4-(trifluoromethyl)phenyl]-3H-quinazolin-4-one (CID 135417291) is 8-hydroxy-2-[4-(trifluoromethyl)phenyl]-3H-quinazolin-4-one.
What is the SMILES notation for 8-hydroxy-2-[4-(trifluoromethyl)phenyl]-3H-quinazolin-4-one?
The canonical SMILES for 8-hydroxy-2-[4-(trifluoromethyl)phenyl]-3H-quinazolin-4-one is O=c1[nH]c(-c2ccc(C(F)(F)F)cc2)nc2c(O)cccc12.
What is the InChIKey of 8-hydroxy-2-[4-(trifluoromethyl)phenyl]-3H-quinazolin-4-one?
The InChIKey is ZZCRCAHSCCNAPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F3N2O2/c16-15(17,18)9-6-4-8(5-7-9)13-19-12-10(14(22)20-13)2-1-3-11(12)21/h1-7,21H,(H,19,20,22).
What are the key properties of 8-hydroxy-2-[4-(trifluoromethyl)phenyl]-3H-quinazolin-4-one?
8-hydroxy-2-[4-(trifluoromethyl)phenyl]-3H-quinazolin-4-one has a molecular weight of 306.24 g/mol, XLogP of 3.31, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hydroxy-2-[4-(trifluoromethyl)phenyl]-3H-quinazolin-4-one is sourced from PubChem (CID 135417291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).