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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Related Compounds

2-bromo-6,7-dimethoxy-3H-quinazolin-4-one
CID 163409774
6,7-dimethoxy-2-[[3-(trifluoromethyl)phenyl]methyl]-3H-quinazolin-4-one
CID 135909907
7-bromo-6-chloro-2-(trifluoromethyl)-3H-quinazolin-4-one
CID 137178984
7-iodo-2-(trifluoromethyl)-3H-quinazolin-4-one
CID 136757886
2-(ethylamino)-6,7-dimethoxy-3H-quinazolin-4-one
CID 136951517
6,7-dimethoxy-2-methyl-3H-quinazolin-4-one;6-hydroxy-7-methoxy-2-methyl-3H-quinazolin-4-one;methane
CID 158479470
diaminomethylidene-(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)azanium
CID 135449625
6-ethoxy-2-ethyl-7-methoxy-3H-quinazolin-4-one
CID 137010023
2-[[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl-ethylamino]methyl]-6,7-dimethoxy-3H-quinazolin-4-one
CID 135519701
2-(cyclopropylmethyl)-6,7-dimethoxy-3H-quinazolin-4-one
CID 136640407
6,7-dimethoxy-2-piperidin-4-yl-3H-quinazolin-4-one
CID 135853225
6,7-dimethoxy-2-(pyrrolidin-1-ylmethyl)-3H-quinazolin-4-one
CID 135715079

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).