6-methyl-4-(methylamino)-1-(2-methylphenyl)-7-(trifluoromethoxy)quinazolin-2-one

C18H16F3N3O2 — CID 150029230

IUPAC6-methyl-4-(methylamino)-1-(2-methylphenyl)-7-(trifluoromethoxy)quinazolin-2-one
SMILESCNc1nc(=O)n(-c2ccccc2C)c2cc(OC(F)(F)F)c(C)cc12
InChIInChI=1S/C18H16F3N3O2/c1-10-6-4-5-7-13(10)24-14-9-15(26-18(19,20)21)11(2)8-12(14)16(22-3)23-17(24)25/h4-9H,1-3H3,(H,22,23,25)
InChIKeyDGXBHXLDEWCQDX-UHFFFAOYSA-N
MW363.34 g/mol
LogP3.94
Rot. Bonds3

About 6-methyl-4-(methylamino)-1-(2-methylphenyl)-7-(trifluoromethoxy)quinazolin-2-one

6-methyl-4-(methylamino)-1-(2-methylphenyl)-7-(trifluoromethoxy)quinazolin-2-one (PubChem CID 150029230) has the molecular formula C18H16F3N3O2 and a molecular weight of 363.34 g/mol. Its IUPAC name is 6-methyl-4-(methylamino)-1-(2-methylphenyl)-7-(trifluoromethoxy)quinazolin-2-one.

Molecular Properties

Compound Name6-methyl-4-(methylamino)-1-(2-methylphenyl)-7-(trifluoromethoxy)quinazolin-2-one
PubChem CID150029230
Molecular FormulaC18H16F3N3O2
Molecular Weight363.34 g/mol
Exact Mass363.12
IUPAC Name6-methyl-4-(methylamino)-1-(2-methylphenyl)-7-(trifluoromethoxy)quinazolin-2-one
SMILESCNc1nc(=O)n(-c2ccccc2C)c2cc(OC(F)(F)F)c(C)cc12
InChIInChI=1S/C18H16F3N3O2/c1-10-6-4-5-7-13(10)24-14-9-15(26-18(19,20)21)11(2)8-12(14)16(22-3)23-17(24)25/h4-9H,1-3H3,(H,22,23,25)
InChIKeyDGXBHXLDEWCQDX-UHFFFAOYSA-N
XLogP3.94
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.34
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-(methylamino)-1-(2-methylphenyl)-7-(trifluoromethoxy)quinazolin-2-one?
The IUPAC name of 6-methyl-4-(methylamino)-1-(2-methylphenyl)-7-(trifluoromethoxy)quinazolin-2-one (CID 150029230) is 6-methyl-4-(methylamino)-1-(2-methylphenyl)-7-(trifluoromethoxy)quinazolin-2-one.
What is the SMILES notation for 6-methyl-4-(methylamino)-1-(2-methylphenyl)-7-(trifluoromethoxy)quinazolin-2-one?
The canonical SMILES for 6-methyl-4-(methylamino)-1-(2-methylphenyl)-7-(trifluoromethoxy)quinazolin-2-one is CNc1nc(=O)n(-c2ccccc2C)c2cc(OC(F)(F)F)c(C)cc12.
What is the InChIKey of 6-methyl-4-(methylamino)-1-(2-methylphenyl)-7-(trifluoromethoxy)quinazolin-2-one?
The InChIKey is DGXBHXLDEWCQDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3N3O2/c1-10-6-4-5-7-13(10)24-14-9-15(26-18(19,20)21)11(2)8-12(14)16(22-3)23-17(24)25/h4-9H,1-3H3,(H,22,23,25).
What are the key properties of 6-methyl-4-(methylamino)-1-(2-methylphenyl)-7-(trifluoromethoxy)quinazolin-2-one?
6-methyl-4-(methylamino)-1-(2-methylphenyl)-7-(trifluoromethoxy)quinazolin-2-one has a molecular weight of 363.34 g/mol, XLogP of 3.94, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-(methylamino)-1-(2-methylphenyl)-7-(trifluoromethoxy)quinazolin-2-one is sourced from PubChem (CID 150029230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).