6-methyl-4-(trifluoromethyl)-3H-quinazolin-2-one

C10H7F3N2O — CID 59067167

IUPAC6-methyl-4-(trifluoromethyl)-3H-quinazolin-2-one
SMILESCc1ccc2nc(=O)[nH]c(C(F)(F)F)c2c1
InChIInChI=1S/C10H7F3N2O/c1-5-2-3-7-6(4-5)8(10(11,12)13)15-9(16)14-7/h2-4H,1H3,(H,14,15,16)
InChIKeyGIDSFUDPUFZGMP-UHFFFAOYSA-N
MW228.17 g/mol
LogP2.25
Rot. Bonds

About 6-methyl-4-(trifluoromethyl)-3H-quinazolin-2-one

6-methyl-4-(trifluoromethyl)-3H-quinazolin-2-one (PubChem CID 59067167) has the molecular formula C10H7F3N2O and a molecular weight of 228.17 g/mol. Its IUPAC name is 6-methyl-4-(trifluoromethyl)-3H-quinazolin-2-one.

Molecular Properties

Compound Name6-methyl-4-(trifluoromethyl)-3H-quinazolin-2-one
PubChem CID59067167
Molecular FormulaC10H7F3N2O
Molecular Weight228.17 g/mol
Exact Mass228.05
IUPAC Name6-methyl-4-(trifluoromethyl)-3H-quinazolin-2-one
SMILESCc1ccc2nc(=O)[nH]c(C(F)(F)F)c2c1
InChIInChI=1S/C10H7F3N2O/c1-5-2-3-7-6(4-5)8(10(11,12)13)15-9(16)14-7/h2-4H,1H3,(H,14,15,16)
InChIKeyGIDSFUDPUFZGMP-UHFFFAOYSA-N
XLogP2.25
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.17
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-(trifluoromethyl)-3H-quinazolin-2-one?
The IUPAC name of 6-methyl-4-(trifluoromethyl)-3H-quinazolin-2-one (CID 59067167) is 6-methyl-4-(trifluoromethyl)-3H-quinazolin-2-one.
What is the SMILES notation for 6-methyl-4-(trifluoromethyl)-3H-quinazolin-2-one?
The canonical SMILES for 6-methyl-4-(trifluoromethyl)-3H-quinazolin-2-one is Cc1ccc2nc(=O)[nH]c(C(F)(F)F)c2c1.
What is the InChIKey of 6-methyl-4-(trifluoromethyl)-3H-quinazolin-2-one?
The InChIKey is GIDSFUDPUFZGMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F3N2O/c1-5-2-3-7-6(4-5)8(10(11,12)13)15-9(16)14-7/h2-4H,1H3,(H,14,15,16).
What are the key properties of 6-methyl-4-(trifluoromethyl)-3H-quinazolin-2-one?
6-methyl-4-(trifluoromethyl)-3H-quinazolin-2-one has a molecular weight of 228.17 g/mol, XLogP of 2.25, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-(trifluoromethyl)-3H-quinazolin-2-one is sourced from PubChem (CID 59067167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).