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

C11H13N3O — CID 117264007

IUPAC6-methyl-3-(methylaminomethyl)quinazolin-4-one
SMILESCNCn1cnc2ccc(C)cc2c1=O
InChIInChI=1S/C11H13N3O/c1-8-3-4-10-9(5-8)11(15)14(6-12-2)7-13-10/h3-5,7,12H,6H2,1-2H3
InChIKeyWIBITZPUNCRHFB-UHFFFAOYSA-N
MW203.25 g/mol
LogP0.88
Rot. Bonds2

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

6-methyl-3-(methylaminomethyl)quinazolin-4-one (PubChem CID 117264007) has the molecular formula C11H13N3O and a molecular weight of 203.25 g/mol. Its IUPAC name is 6-methyl-3-(methylaminomethyl)quinazolin-4-one.

Molecular Properties

Compound Name6-methyl-3-(methylaminomethyl)quinazolin-4-one
PubChem CID117264007
Molecular FormulaC11H13N3O
Molecular Weight203.25 g/mol
Exact Mass203.11
IUPAC Name6-methyl-3-(methylaminomethyl)quinazolin-4-one
SMILESCNCn1cnc2ccc(C)cc2c1=O
InChIInChI=1S/C11H13N3O/c1-8-3-4-10-9(5-8)11(15)14(6-12-2)7-13-10/h3-5,7,12H,6H2,1-2H3
InChIKeyWIBITZPUNCRHFB-UHFFFAOYSA-N
XLogP0.88
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.25
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-(methylaminomethyl)quinazolin-4-one?
The IUPAC name of 6-methyl-3-(methylaminomethyl)quinazolin-4-one (CID 117264007) is 6-methyl-3-(methylaminomethyl)quinazolin-4-one.
What is the SMILES notation for 6-methyl-3-(methylaminomethyl)quinazolin-4-one?
The canonical SMILES for 6-methyl-3-(methylaminomethyl)quinazolin-4-one is CNCn1cnc2ccc(C)cc2c1=O.
What is the InChIKey of 6-methyl-3-(methylaminomethyl)quinazolin-4-one?
The InChIKey is WIBITZPUNCRHFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c1-8-3-4-10-9(5-8)11(15)14(6-12-2)7-13-10/h3-5,7,12H,6H2,1-2H3.
What are the key properties of 6-methyl-3-(methylaminomethyl)quinazolin-4-one?
6-methyl-3-(methylaminomethyl)quinazolin-4-one has a molecular weight of 203.25 g/mol, XLogP of 0.88, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-(methylaminomethyl)quinazolin-4-one is sourced from PubChem (CID 117264007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).