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

C12H15N3O3 — CID 73255498

IUPAC6,7-dimethoxy-2-(methylaminomethyl)-6H-quinazolin-4-one
SMILESCNCC1=NC(=O)C2=CC(OC)C(OC)=CC2=N1
InChIInChI=1S/C12H15N3O3/c1-13-6-11-14-8-5-10(18-3)9(17-2)4-7(8)12(16)15-11/h4-5,9,13H,6H2,1-3H3
InChIKeyNSUDGBCCEBOBFR-UHFFFAOYSA-N
MW249.27 g/mol
LogP0.07
Rot. Bonds4

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

6,7-dimethoxy-2-(methylaminomethyl)-6H-quinazolin-4-one (PubChem CID 73255498) has the molecular formula C12H15N3O3 and a molecular weight of 249.27 g/mol. Its IUPAC name is 6,7-dimethoxy-2-(methylaminomethyl)-6H-quinazolin-4-one.

Molecular Properties

Compound Name6,7-dimethoxy-2-(methylaminomethyl)-6H-quinazolin-4-one
PubChem CID73255498
Molecular FormulaC12H15N3O3
Molecular Weight249.27 g/mol
Exact Mass249.11
IUPAC Name6,7-dimethoxy-2-(methylaminomethyl)-6H-quinazolin-4-one
SMILESCNCC1=NC(=O)C2=CC(OC)C(OC)=CC2=N1
InChIInChI=1S/C12H15N3O3/c1-13-6-11-14-8-5-10(18-3)9(17-2)4-7(8)12(16)15-11/h4-5,9,13H,6H2,1-3H3
InChIKeyNSUDGBCCEBOBFR-UHFFFAOYSA-N
XLogP0.07
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5,6-dimethoxy-6H-quinazolin-4-one
CID 72741422
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 6,7-dimethoxy-2-(methylaminomethyl)-6H-quinazolin-4-one?
The IUPAC name of 6,7-dimethoxy-2-(methylaminomethyl)-6H-quinazolin-4-one (CID 73255498) is 6,7-dimethoxy-2-(methylaminomethyl)-6H-quinazolin-4-one.
What is the SMILES notation for 6,7-dimethoxy-2-(methylaminomethyl)-6H-quinazolin-4-one?
The canonical SMILES for 6,7-dimethoxy-2-(methylaminomethyl)-6H-quinazolin-4-one is CNCC1=NC(=O)C2=CC(OC)C(OC)=CC2=N1.
What is the InChIKey of 6,7-dimethoxy-2-(methylaminomethyl)-6H-quinazolin-4-one?
The InChIKey is NSUDGBCCEBOBFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3/c1-13-6-11-14-8-5-10(18-3)9(17-2)4-7(8)12(16)15-11/h4-5,9,13H,6H2,1-3H3.
What are the key properties of 6,7-dimethoxy-2-(methylaminomethyl)-6H-quinazolin-4-one?
6,7-dimethoxy-2-(methylaminomethyl)-6H-quinazolin-4-one has a molecular weight of 249.27 g/mol, XLogP of 0.07, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-2-(methylaminomethyl)-6H-quinazolin-4-one is sourced from PubChem (CID 73255498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).