6,7-dimethoxy-2-methyl-6H-quinazolin-4-one

C11H12N2O3 — CID 78170554

IUPAC6,7-dimethoxy-2-methyl-6H-quinazolin-4-one
SMILESCOC1=CC2=NC(C)=NC(=O)C2=CC1OC
InChIInChI=1S/C11H12N2O3/c1-6-12-8-5-10(16-3)9(15-2)4-7(8)11(14)13-6/h4-5,9H,1-3H3
InChIKeySLIVOKDZXNYDEF-UHFFFAOYSA-N
MW220.23 g/mol
LogP0.87
Rot. Bonds2

About 6,7-dimethoxy-2-methyl-6H-quinazolin-4-one

6,7-dimethoxy-2-methyl-6H-quinazolin-4-one (PubChem CID 78170554) has the molecular formula C11H12N2O3 and a molecular weight of 220.23 g/mol. Its IUPAC name is 6,7-dimethoxy-2-methyl-6H-quinazolin-4-one.

Molecular Properties

Compound Name6,7-dimethoxy-2-methyl-6H-quinazolin-4-one
PubChem CID78170554
Molecular FormulaC11H12N2O3
Molecular Weight220.23 g/mol
Exact Mass220.08
IUPAC Name6,7-dimethoxy-2-methyl-6H-quinazolin-4-one
SMILESCOC1=CC2=NC(C)=NC(=O)C2=CC1OC
InChIInChI=1S/C11H12N2O3/c1-6-12-8-5-10(16-3)9(15-2)4-7(8)11(14)13-6/h4-5,9H,1-3H3
InChIKeySLIVOKDZXNYDEF-UHFFFAOYSA-N
XLogP0.87
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6,7-dimethoxy-2-(trifluoromethyl)-6H-quinazolin-4-one
CID 73338746
(6-methoxy-4-oxo-6H-quinazolin-7-yl) acetate
CID 72208548
6-ethoxy-6H-quinazolin-4-one
CID 72741421
5,6-dimethoxy-6H-quinazolin-4-one
CID 72741422
6,7-dimethoxy-2-(methylaminomethyl)-6H-quinazolin-4-one
CID 73255498
2-chloro-6-methoxy-6H-quinazolin-4-one
CID 73300459
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
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-methyl-6H-quinazolin-4-one?
The IUPAC name of 6,7-dimethoxy-2-methyl-6H-quinazolin-4-one (CID 78170554) is 6,7-dimethoxy-2-methyl-6H-quinazolin-4-one.
What is the SMILES notation for 6,7-dimethoxy-2-methyl-6H-quinazolin-4-one?
The canonical SMILES for 6,7-dimethoxy-2-methyl-6H-quinazolin-4-one is COC1=CC2=NC(C)=NC(=O)C2=CC1OC.
What is the InChIKey of 6,7-dimethoxy-2-methyl-6H-quinazolin-4-one?
The InChIKey is SLIVOKDZXNYDEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3/c1-6-12-8-5-10(16-3)9(15-2)4-7(8)11(14)13-6/h4-5,9H,1-3H3.
What are the key properties of 6,7-dimethoxy-2-methyl-6H-quinazolin-4-one?
6,7-dimethoxy-2-methyl-6H-quinazolin-4-one has a molecular weight of 220.23 g/mol, XLogP of 0.87, 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-methyl-6H-quinazolin-4-one is sourced from PubChem (CID 78170554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).