2-methyl-6-(methylaminomethyl)-3H-quinazolin-4-one

C11H13N3O — CID 135566758

IUPAC2-methyl-6-(methylaminomethyl)-3H-quinazolin-4-one
SMILESCNCc1ccc2nc(C)[nH]c(=O)c2c1
InChIInChI=1S/C11H13N3O/c1-7-13-10-4-3-8(6-12-2)5-9(10)11(15)14-7/h3-5,12H,6H2,1-2H3,(H,13,14,15)
InChIKeyOXCZVJICLFZQLN-UHFFFAOYSA-N
MW203.24 g/mol
LogP0.95
Rot. Bonds2

About 2-methyl-6-(methylaminomethyl)-3H-quinazolin-4-one

2-methyl-6-(methylaminomethyl)-3H-quinazolin-4-one (PubChem CID 135566758) has the molecular formula C11H13N3O and a molecular weight of 203.24 g/mol. Its IUPAC name is 2-methyl-6-(methylaminomethyl)-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-methyl-6-(methylaminomethyl)-3H-quinazolin-4-one
PubChem CID135566758
Molecular FormulaC11H13N3O
Molecular Weight203.24 g/mol
Exact Mass203.11
IUPAC Name2-methyl-6-(methylaminomethyl)-3H-quinazolin-4-one
SMILESCNCc1ccc2nc(C)[nH]c(=O)c2c1
InChIInChI=1S/C11H13N3O/c1-7-13-10-4-3-8(6-12-2)5-9(10)11(15)14-7/h3-5,12H,6H2,1-2H3,(H,13,14,15)
InChIKeyOXCZVJICLFZQLN-UHFFFAOYSA-N
XLogP0.95
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(methylaminomethyl)-3H-quinazolin-4-one?
The IUPAC name of 2-methyl-6-(methylaminomethyl)-3H-quinazolin-4-one (CID 135566758) is 2-methyl-6-(methylaminomethyl)-3H-quinazolin-4-one.
What is the SMILES notation for 2-methyl-6-(methylaminomethyl)-3H-quinazolin-4-one?
The canonical SMILES for 2-methyl-6-(methylaminomethyl)-3H-quinazolin-4-one is CNCc1ccc2nc(C)[nH]c(=O)c2c1.
What is the InChIKey of 2-methyl-6-(methylaminomethyl)-3H-quinazolin-4-one?
The InChIKey is OXCZVJICLFZQLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c1-7-13-10-4-3-8(6-12-2)5-9(10)11(15)14-7/h3-5,12H,6H2,1-2H3,(H,13,14,15).
What are the key properties of 2-methyl-6-(methylaminomethyl)-3H-quinazolin-4-one?
2-methyl-6-(methylaminomethyl)-3H-quinazolin-4-one has a molecular weight of 203.24 g/mol, XLogP of 0.95, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(methylaminomethyl)-3H-quinazolin-4-one is sourced from PubChem (CID 135566758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).