6,7-dimethoxy-2-(trifluoromethyl)-3H-quinazolin-4-one

C11H9F3N2O3 — CID 135742363

IUPAC6,7-dimethoxy-2-(trifluoromethyl)-3H-quinazolin-4-one
SMILESCOc1cc2nc(C(F)(F)F)[nH]c(=O)c2cc1OC
InChIInChI=1S/C11H9F3N2O3/c1-18-7-3-5-6(4-8(7)19-2)15-10(11(12,13)14)16-9(5)17/h3-4H,1-2H3,(H,15,16,17)
InChIKeyMOVTXYVMTFUFHJ-UHFFFAOYSA-N
MW274.20 g/mol
LogP1.96
Rot. Bonds2

About 6,7-dimethoxy-2-(trifluoromethyl)-3H-quinazolin-4-one

6,7-dimethoxy-2-(trifluoromethyl)-3H-quinazolin-4-one (PubChem CID 135742363) has the molecular formula C11H9F3N2O3 and a molecular weight of 274.20 g/mol. Its IUPAC name is 6,7-dimethoxy-2-(trifluoromethyl)-3H-quinazolin-4-one.

Molecular Properties

Compound Name6,7-dimethoxy-2-(trifluoromethyl)-3H-quinazolin-4-one
PubChem CID135742363
Molecular FormulaC11H9F3N2O3
Molecular Weight274.20 g/mol
Exact Mass274.06
IUPAC Name6,7-dimethoxy-2-(trifluoromethyl)-3H-quinazolin-4-one
SMILESCOc1cc2nc(C(F)(F)F)[nH]c(=O)c2cc1OC
InChIInChI=1S/C11H9F3N2O3/c1-18-7-3-5-6(4-8(7)19-2)15-10(11(12,13)14)16-9(5)17/h3-4H,1-2H3,(H,15,16,17)
InChIKeyMOVTXYVMTFUFHJ-UHFFFAOYSA-N
XLogP1.96
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.20
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-2-(trifluoromethyl)-3H-quinazolin-4-one?
The IUPAC name of 6,7-dimethoxy-2-(trifluoromethyl)-3H-quinazolin-4-one (CID 135742363) is 6,7-dimethoxy-2-(trifluoromethyl)-3H-quinazolin-4-one.
What is the SMILES notation for 6,7-dimethoxy-2-(trifluoromethyl)-3H-quinazolin-4-one?
The canonical SMILES for 6,7-dimethoxy-2-(trifluoromethyl)-3H-quinazolin-4-one is COc1cc2nc(C(F)(F)F)[nH]c(=O)c2cc1OC.
What is the InChIKey of 6,7-dimethoxy-2-(trifluoromethyl)-3H-quinazolin-4-one?
The InChIKey is MOVTXYVMTFUFHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N2O3/c1-18-7-3-5-6(4-8(7)19-2)15-10(11(12,13)14)16-9(5)17/h3-4H,1-2H3,(H,15,16,17).
What are the key properties of 6,7-dimethoxy-2-(trifluoromethyl)-3H-quinazolin-4-one?
6,7-dimethoxy-2-(trifluoromethyl)-3H-quinazolin-4-one has a molecular weight of 274.20 g/mol, XLogP of 1.96, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-2-(trifluoromethyl)-3H-quinazolin-4-one is sourced from PubChem (CID 135742363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).