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

C11H9F3N2O3 — CID 73338746

IUPAC6,7-dimethoxy-2-(trifluoromethyl)-6H-quinazolin-4-one
SMILESCOC1=CC2=NC(C(F)(F)F)=NC(=O)C2=CC1OC
InChIInChI=1S/C11H9F3N2O3/c1-18-7-3-5-6(4-8(7)19-2)15-10(11(12,13)14)16-9(5)17/h3-4,7H,1-2H3
InChIKeyHBAMKKAJQLTTBI-UHFFFAOYSA-N
MW274.20 g/mol
LogP1.41
Rot. Bonds2

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

6,7-dimethoxy-2-(trifluoromethyl)-6H-quinazolin-4-one (PubChem CID 73338746) has the molecular formula C11H9F3N2O3 and a molecular weight of 274.20 g/mol. Its IUPAC name is 6,7-dimethoxy-2-(trifluoromethyl)-6H-quinazolin-4-one.

Molecular Properties

Compound Name6,7-dimethoxy-2-(trifluoromethyl)-6H-quinazolin-4-one
PubChem CID73338746
Molecular FormulaC11H9F3N2O3
Molecular Weight274.20 g/mol
Exact Mass274.06
IUPAC Name6,7-dimethoxy-2-(trifluoromethyl)-6H-quinazolin-4-one
SMILESCOC1=CC2=NC(C(F)(F)F)=NC(=O)C2=CC1OC
InChIInChI=1S/C11H9F3N2O3/c1-18-7-3-5-6(4-8(7)19-2)15-10(11(12,13)14)16-9(5)17/h3-4,7H,1-2H3
InChIKeyHBAMKKAJQLTTBI-UHFFFAOYSA-N
XLogP1.41
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.20
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(6-methoxy-4-oxo-6H-quinazolin-7-yl) acetate
CID 72208548
5,6-dimethoxy-6H-quinazolin-4-one
CID 72741422
2-(chloromethyl)-6,7-dimethoxy-6H-quinazolin-4-one
CID 74873436
2-chloro-6,7-dimethoxy-5-methyl-6H-quinazolin-4-one
CID 75990498
2-amino-6,7-dimethoxy-6H-quinazolin-4-one
CID 76845143
2-chloro-6,7-dimethoxy-6H-quinazolin-4-one
CID 76845186
6,7-dimethoxy-2-methyl-6H-quinazolin-4-one
CID 78170554
7-methoxy-2-methyl-6-[(3S)-oxolan-3-yl]oxy-6H-quinazolin-4-one
CID 156595191

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-2-(trifluoromethyl)-6H-quinazolin-4-one?
The IUPAC name of 6,7-dimethoxy-2-(trifluoromethyl)-6H-quinazolin-4-one (CID 73338746) is 6,7-dimethoxy-2-(trifluoromethyl)-6H-quinazolin-4-one.
What is the SMILES notation for 6,7-dimethoxy-2-(trifluoromethyl)-6H-quinazolin-4-one?
The canonical SMILES for 6,7-dimethoxy-2-(trifluoromethyl)-6H-quinazolin-4-one is COC1=CC2=NC(C(F)(F)F)=NC(=O)C2=CC1OC.
What is the InChIKey of 6,7-dimethoxy-2-(trifluoromethyl)-6H-quinazolin-4-one?
The InChIKey is HBAMKKAJQLTTBI-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/h3-4,7H,1-2H3.
What are the key properties of 6,7-dimethoxy-2-(trifluoromethyl)-6H-quinazolin-4-one?
6,7-dimethoxy-2-(trifluoromethyl)-6H-quinazolin-4-one has a molecular weight of 274.20 g/mol, XLogP of 1.41, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-2-(trifluoromethyl)-6H-quinazolin-4-one is sourced from PubChem (CID 73338746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).