4-methyl-5-(methylaminomethyl)-5,6,7,8-tetrahydro-3H-quinazolin-2-one

C11H17N3O — CID 83861993

IUPAC4-methyl-5-(methylaminomethyl)-5,6,7,8-tetrahydro-3H-quinazolin-2-one
SMILESCNCC1CCCc2nc(=O)[nH]c(C)c21
InChIInChI=1S/C11H17N3O/c1-7-10-8(6-12-2)4-3-5-9(10)14-11(15)13-7/h8,12H,3-6H2,1-2H3,(H,13,14,15)
InChIKeyYGQIYRNCIGHAOT-UHFFFAOYSA-N
MW207.28 g/mol
LogP0.72
Rot. Bonds2

About 4-methyl-5-(methylaminomethyl)-5,6,7,8-tetrahydro-3H-quinazolin-2-one

4-methyl-5-(methylaminomethyl)-5,6,7,8-tetrahydro-3H-quinazolin-2-one (PubChem CID 83861993) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 4-methyl-5-(methylaminomethyl)-5,6,7,8-tetrahydro-3H-quinazolin-2-one.

Molecular Properties

Compound Name4-methyl-5-(methylaminomethyl)-5,6,7,8-tetrahydro-3H-quinazolin-2-one
PubChem CID83861993
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name4-methyl-5-(methylaminomethyl)-5,6,7,8-tetrahydro-3H-quinazolin-2-one
SMILESCNCC1CCCc2nc(=O)[nH]c(C)c21
InChIInChI=1S/C11H17N3O/c1-7-10-8(6-12-2)4-3-5-9(10)14-11(15)13-7/h8,12H,3-6H2,1-2H3,(H,13,14,15)
InChIKeyYGQIYRNCIGHAOT-UHFFFAOYSA-N
XLogP0.72
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-methyl-5-(methylaminomethyl)-5,6,7,8-tetrahydro-3H-quinazolin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-(methylaminomethyl)-5,6,7,8-tetrahydro-3H-quinazolin-2-one?
The IUPAC name of 4-methyl-5-(methylaminomethyl)-5,6,7,8-tetrahydro-3H-quinazolin-2-one (CID 83861993) is 4-methyl-5-(methylaminomethyl)-5,6,7,8-tetrahydro-3H-quinazolin-2-one.
What is the SMILES notation for 4-methyl-5-(methylaminomethyl)-5,6,7,8-tetrahydro-3H-quinazolin-2-one?
The canonical SMILES for 4-methyl-5-(methylaminomethyl)-5,6,7,8-tetrahydro-3H-quinazolin-2-one is CNCC1CCCc2nc(=O)[nH]c(C)c21.
What is the InChIKey of 4-methyl-5-(methylaminomethyl)-5,6,7,8-tetrahydro-3H-quinazolin-2-one?
The InChIKey is YGQIYRNCIGHAOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-7-10-8(6-12-2)4-3-5-9(10)14-11(15)13-7/h8,12H,3-6H2,1-2H3,(H,13,14,15).
What are the key properties of 4-methyl-5-(methylaminomethyl)-5,6,7,8-tetrahydro-3H-quinazolin-2-one?
4-methyl-5-(methylaminomethyl)-5,6,7,8-tetrahydro-3H-quinazolin-2-one has a molecular weight of 207.28 g/mol, XLogP of 0.72, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-(methylaminomethyl)-5,6,7,8-tetrahydro-3H-quinazolin-2-one is sourced from PubChem (CID 83861993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).