1-methyl-4-phenyl-6-(trifluoromethyl)quinazolin-2-one

C16H11F3N2O — CID 23275904

IUPAC1-methyl-4-phenyl-6-(trifluoromethyl)quinazolin-2-one
SMILESCn1c(=O)nc(-c2ccccc2)c2cc(C(F)(F)F)ccc21
InChIInChI=1S/C16H11F3N2O/c1-21-13-8-7-11(16(17,18)19)9-12(13)14(20-15(21)22)10-5-3-2-4-6-10/h2-9H,1H3
InChIKeyVXMYFIURWQFYFG-UHFFFAOYSA-N
MW304.27 g/mol
LogP3.62
Rot. Bonds1

About 1-methyl-4-phenyl-6-(trifluoromethyl)quinazolin-2-one

1-methyl-4-phenyl-6-(trifluoromethyl)quinazolin-2-one (PubChem CID 23275904) has the molecular formula C16H11F3N2O and a molecular weight of 304.27 g/mol. Its IUPAC name is 1-methyl-4-phenyl-6-(trifluoromethyl)quinazolin-2-one.

Molecular Properties

Compound Name1-methyl-4-phenyl-6-(trifluoromethyl)quinazolin-2-one
PubChem CID23275904
Molecular FormulaC16H11F3N2O
Molecular Weight304.27 g/mol
Exact Mass304.08
IUPAC Name1-methyl-4-phenyl-6-(trifluoromethyl)quinazolin-2-one
SMILESCn1c(=O)nc(-c2ccccc2)c2cc(C(F)(F)F)ccc21
InChIInChI=1S/C16H11F3N2O/c1-21-13-8-7-11(16(17,18)19)9-12(13)14(20-15(21)22)10-5-3-2-4-6-10/h2-9H,1H3
InChIKeyVXMYFIURWQFYFG-UHFFFAOYSA-N
XLogP3.62
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.27
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-phenyl-6-(trifluoromethyl)quinazolin-2-one?
The IUPAC name of 1-methyl-4-phenyl-6-(trifluoromethyl)quinazolin-2-one (CID 23275904) is 1-methyl-4-phenyl-6-(trifluoromethyl)quinazolin-2-one.
What is the SMILES notation for 1-methyl-4-phenyl-6-(trifluoromethyl)quinazolin-2-one?
The canonical SMILES for 1-methyl-4-phenyl-6-(trifluoromethyl)quinazolin-2-one is Cn1c(=O)nc(-c2ccccc2)c2cc(C(F)(F)F)ccc21.
What is the InChIKey of 1-methyl-4-phenyl-6-(trifluoromethyl)quinazolin-2-one?
The InChIKey is VXMYFIURWQFYFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3N2O/c1-21-13-8-7-11(16(17,18)19)9-12(13)14(20-15(21)22)10-5-3-2-4-6-10/h2-9H,1H3.
What are the key properties of 1-methyl-4-phenyl-6-(trifluoromethyl)quinazolin-2-one?
1-methyl-4-phenyl-6-(trifluoromethyl)quinazolin-2-one has a molecular weight of 304.27 g/mol, XLogP of 3.62, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-phenyl-6-(trifluoromethyl)quinazolin-2-one is sourced from PubChem (CID 23275904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).