5,6-dimethoxy-6H-quinazolin-4-one

C10H10N2O3 — CID 72741422

IUPAC5,6-dimethoxy-6H-quinazolin-4-one
SMILESCOC1=C2C(=O)N=CN=C2C=CC1OC
InChIInChI=1S/C10H10N2O3/c1-14-7-4-3-6-8(9(7)15-2)10(13)12-5-11-6/h3-5,7H,1-2H3
InChIKeySNXOAMPGDQKAPJ-UHFFFAOYSA-N
MW206.20 g/mol
LogP0.48
Rot. Bonds2

About 5,6-dimethoxy-6H-quinazolin-4-one

5,6-dimethoxy-6H-quinazolin-4-one (PubChem CID 72741422) has the molecular formula C10H10N2O3 and a molecular weight of 206.20 g/mol. Its IUPAC name is 5,6-dimethoxy-6H-quinazolin-4-one.

Molecular Properties

Compound Name5,6-dimethoxy-6H-quinazolin-4-one
PubChem CID72741422
Molecular FormulaC10H10N2O3
Molecular Weight206.20 g/mol
Exact Mass206.07
IUPAC Name5,6-dimethoxy-6H-quinazolin-4-one
SMILESCOC1=C2C(=O)N=CN=C2C=CC1OC
InChIInChI=1S/C10H10N2O3/c1-14-7-4-3-6-8(9(7)15-2)10(13)12-5-11-6/h3-5,7H,1-2H3
InChIKeySNXOAMPGDQKAPJ-UHFFFAOYSA-N
XLogP0.48
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 50.48
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
7-methoxy-5-propoxy-6H-quinazolin-4-one
CID 91507353
(6-methoxy-4-oxo-6H-quinazolin-7-yl) acetate
CID 72208548
6-ethoxy-6H-quinazolin-4-one
CID 72741421
6,7-dimethoxy-2-(methylaminomethyl)-6H-quinazolin-4-one
CID 73255498
2-chloro-6-methoxy-6H-quinazolin-4-one
CID 73300459
(4-oxo-6H-quinazolin-6-yl) acetate
CID 73473654
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

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethoxy-6H-quinazolin-4-one?
The IUPAC name of 5,6-dimethoxy-6H-quinazolin-4-one (CID 72741422) is 5,6-dimethoxy-6H-quinazolin-4-one.
What is the SMILES notation for 5,6-dimethoxy-6H-quinazolin-4-one?
The canonical SMILES for 5,6-dimethoxy-6H-quinazolin-4-one is COC1=C2C(=O)N=CN=C2C=CC1OC.
What is the InChIKey of 5,6-dimethoxy-6H-quinazolin-4-one?
The InChIKey is SNXOAMPGDQKAPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O3/c1-14-7-4-3-6-8(9(7)15-2)10(13)12-5-11-6/h3-5,7H,1-2H3.
What are the key properties of 5,6-dimethoxy-6H-quinazolin-4-one?
5,6-dimethoxy-6H-quinazolin-4-one has a molecular weight of 206.20 g/mol, XLogP of 0.48, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethoxy-6H-quinazolin-4-one is sourced from PubChem (CID 72741422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).