4-(methylamino)-1-(2-methylphenyl)-7-(trifluoromethyl)quinazolin-2-one

C17H14F3N3O — CID 146970364

IUPAC4-(methylamino)-1-(2-methylphenyl)-7-(trifluoromethyl)quinazolin-2-one
SMILESCNc1nc(=O)n(-c2ccccc2C)c2cc(C(F)(F)F)ccc12
InChIInChI=1S/C17H14F3N3O/c1-10-5-3-4-6-13(10)23-14-9-11(17(18,19)20)7-8-12(14)15(21-2)22-16(23)24/h3-9H,1-2H3,(H,21,22,24)
InChIKeyAMHMREQJMOJQHY-UHFFFAOYSA-N
MW333.31 g/mol
LogP3.75
Rot. Bonds2

About 4-(methylamino)-1-(2-methylphenyl)-7-(trifluoromethyl)quinazolin-2-one

4-(methylamino)-1-(2-methylphenyl)-7-(trifluoromethyl)quinazolin-2-one (PubChem CID 146970364) has the molecular formula C17H14F3N3O and a molecular weight of 333.31 g/mol. Its IUPAC name is 4-(methylamino)-1-(2-methylphenyl)-7-(trifluoromethyl)quinazolin-2-one.

Molecular Properties

Compound Name4-(methylamino)-1-(2-methylphenyl)-7-(trifluoromethyl)quinazolin-2-one
PubChem CID146970364
Molecular FormulaC17H14F3N3O
Molecular Weight333.31 g/mol
Exact Mass333.11
IUPAC Name4-(methylamino)-1-(2-methylphenyl)-7-(trifluoromethyl)quinazolin-2-one
SMILESCNc1nc(=O)n(-c2ccccc2C)c2cc(C(F)(F)F)ccc12
InChIInChI=1S/C17H14F3N3O/c1-10-5-3-4-6-13(10)23-14-9-11(17(18,19)20)7-8-12(14)15(21-2)22-16(23)24/h3-9H,1-2H3,(H,21,22,24)
InChIKeyAMHMREQJMOJQHY-UHFFFAOYSA-N
XLogP3.75
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.31
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(methylamino)-1-(2-methylphenyl)-7-(trifluoromethyl)quinazolin-2-one?
The IUPAC name of 4-(methylamino)-1-(2-methylphenyl)-7-(trifluoromethyl)quinazolin-2-one (CID 146970364) is 4-(methylamino)-1-(2-methylphenyl)-7-(trifluoromethyl)quinazolin-2-one.
What is the SMILES notation for 4-(methylamino)-1-(2-methylphenyl)-7-(trifluoromethyl)quinazolin-2-one?
The canonical SMILES for 4-(methylamino)-1-(2-methylphenyl)-7-(trifluoromethyl)quinazolin-2-one is CNc1nc(=O)n(-c2ccccc2C)c2cc(C(F)(F)F)ccc12.
What is the InChIKey of 4-(methylamino)-1-(2-methylphenyl)-7-(trifluoromethyl)quinazolin-2-one?
The InChIKey is AMHMREQJMOJQHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N3O/c1-10-5-3-4-6-13(10)23-14-9-11(17(18,19)20)7-8-12(14)15(21-2)22-16(23)24/h3-9H,1-2H3,(H,21,22,24).
What are the key properties of 4-(methylamino)-1-(2-methylphenyl)-7-(trifluoromethyl)quinazolin-2-one?
4-(methylamino)-1-(2-methylphenyl)-7-(trifluoromethyl)quinazolin-2-one has a molecular weight of 333.31 g/mol, XLogP of 3.75, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylamino)-1-(2-methylphenyl)-7-(trifluoromethyl)quinazolin-2-one is sourced from PubChem (CID 146970364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).