7-[4-(difluoromethyl)phenyl]-3-hydroxyquinazolin-4-one

C15H10F2N2O2 — CID 129217644

IUPAC7-[4-(difluoromethyl)phenyl]-3-hydroxyquinazolin-4-one
SMILESO=c1c2ccc(-c3ccc(C(F)F)cc3)cc2ncn1O
InChIInChI=1S/C15H10F2N2O2/c16-14(17)10-3-1-9(2-4-10)11-5-6-12-13(7-11)18-8-19(21)15(12)20/h1-8,14,21H
InChIKeyBGGDKRZWFNOTDQ-UHFFFAOYSA-N
MW288.25 g/mol
LogP3.24
Rot. Bonds2

About 7-[4-(difluoromethyl)phenyl]-3-hydroxyquinazolin-4-one

7-[4-(difluoromethyl)phenyl]-3-hydroxyquinazolin-4-one (PubChem CID 129217644) has the molecular formula C15H10F2N2O2 and a molecular weight of 288.25 g/mol. Its IUPAC name is 7-[4-(difluoromethyl)phenyl]-3-hydroxyquinazolin-4-one.

Molecular Properties

Compound Name7-[4-(difluoromethyl)phenyl]-3-hydroxyquinazolin-4-one
PubChem CID129217644
Molecular FormulaC15H10F2N2O2
Molecular Weight288.25 g/mol
Exact Mass288.07
IUPAC Name7-[4-(difluoromethyl)phenyl]-3-hydroxyquinazolin-4-one
SMILESO=c1c2ccc(-c3ccc(C(F)F)cc3)cc2ncn1O
InChIInChI=1S/C15H10F2N2O2/c16-14(17)10-3-1-9(2-4-10)11-5-6-12-13(7-11)18-8-19(21)15(12)20/h1-8,14,21H
InChIKeyBGGDKRZWFNOTDQ-UHFFFAOYSA-N
XLogP3.24
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.25
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-[4-(difluoromethyl)phenyl]-3-hydroxyquinazolin-4-one?
The IUPAC name of 7-[4-(difluoromethyl)phenyl]-3-hydroxyquinazolin-4-one (CID 129217644) is 7-[4-(difluoromethyl)phenyl]-3-hydroxyquinazolin-4-one.
What is the SMILES notation for 7-[4-(difluoromethyl)phenyl]-3-hydroxyquinazolin-4-one?
The canonical SMILES for 7-[4-(difluoromethyl)phenyl]-3-hydroxyquinazolin-4-one is O=c1c2ccc(-c3ccc(C(F)F)cc3)cc2ncn1O.
What is the InChIKey of 7-[4-(difluoromethyl)phenyl]-3-hydroxyquinazolin-4-one?
The InChIKey is BGGDKRZWFNOTDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F2N2O2/c16-14(17)10-3-1-9(2-4-10)11-5-6-12-13(7-11)18-8-19(21)15(12)20/h1-8,14,21H.
What are the key properties of 7-[4-(difluoromethyl)phenyl]-3-hydroxyquinazolin-4-one?
7-[4-(difluoromethyl)phenyl]-3-hydroxyquinazolin-4-one has a molecular weight of 288.25 g/mol, XLogP of 3.24, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(difluoromethyl)phenyl]-3-hydroxyquinazolin-4-one is sourced from PubChem (CID 129217644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).