4-amino-1-phenyl-7-(trifluoromethyl)quinazolin-2-one

C15H10F3N3O — CID 146721284

IUPAC4-amino-1-phenyl-7-(trifluoromethyl)quinazolin-2-one
SMILESNc1nc(=O)n(-c2ccccc2)c2cc(C(F)(F)F)ccc12
InChIInChI=1S/C15H10F3N3O/c16-15(17,18)9-6-7-11-12(8-9)21(14(22)20-13(11)19)10-4-2-1-3-5-10/h1-8H,(H2,19,20,22)
InChIKeyRFAOQCTVOYENAY-UHFFFAOYSA-N
MW305.26 g/mol
LogP2.99
Rot. Bonds1

About 4-amino-1-phenyl-7-(trifluoromethyl)quinazolin-2-one

4-amino-1-phenyl-7-(trifluoromethyl)quinazolin-2-one (PubChem CID 146721284) has the molecular formula C15H10F3N3O and a molecular weight of 305.26 g/mol. Its IUPAC name is 4-amino-1-phenyl-7-(trifluoromethyl)quinazolin-2-one.

Molecular Properties

Compound Name4-amino-1-phenyl-7-(trifluoromethyl)quinazolin-2-one
PubChem CID146721284
Molecular FormulaC15H10F3N3O
Molecular Weight305.26 g/mol
Exact Mass305.08
IUPAC Name4-amino-1-phenyl-7-(trifluoromethyl)quinazolin-2-one
SMILESNc1nc(=O)n(-c2ccccc2)c2cc(C(F)(F)F)ccc12
InChIInChI=1S/C15H10F3N3O/c16-15(17,18)9-6-7-11-12(8-9)21(14(22)20-13(11)19)10-4-2-1-3-5-10/h1-8H,(H2,19,20,22)
InChIKeyRFAOQCTVOYENAY-UHFFFAOYSA-N
XLogP2.99
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.26
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-phenyl-7-(trifluoromethyl)quinazolin-2-one?
The IUPAC name of 4-amino-1-phenyl-7-(trifluoromethyl)quinazolin-2-one (CID 146721284) is 4-amino-1-phenyl-7-(trifluoromethyl)quinazolin-2-one.
What is the SMILES notation for 4-amino-1-phenyl-7-(trifluoromethyl)quinazolin-2-one?
The canonical SMILES for 4-amino-1-phenyl-7-(trifluoromethyl)quinazolin-2-one is Nc1nc(=O)n(-c2ccccc2)c2cc(C(F)(F)F)ccc12.
What is the InChIKey of 4-amino-1-phenyl-7-(trifluoromethyl)quinazolin-2-one?
The InChIKey is RFAOQCTVOYENAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F3N3O/c16-15(17,18)9-6-7-11-12(8-9)21(14(22)20-13(11)19)10-4-2-1-3-5-10/h1-8H,(H2,19,20,22).
What are the key properties of 4-amino-1-phenyl-7-(trifluoromethyl)quinazolin-2-one?
4-amino-1-phenyl-7-(trifluoromethyl)quinazolin-2-one has a molecular weight of 305.26 g/mol, XLogP of 2.99, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-phenyl-7-(trifluoromethyl)quinazolin-2-one is sourced from PubChem (CID 146721284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).