6-methyl-4-(methylaminomethyl)-5,6,7,8-tetrahydro-1H-quinazolin-2-one

C11H17N3O — CID 83848487

IUPAC6-methyl-4-(methylaminomethyl)-5,6,7,8-tetrahydro-1H-quinazolin-2-one
SMILESCNCc1nc(=O)[nH]c2c1CC(C)CC2
InChIInChI=1S/C11H17N3O/c1-7-3-4-9-8(5-7)10(6-12-2)14-11(15)13-9/h7,12H,3-6H2,1-2H3,(H,13,14,15)
InChIKeyNFRQMZJOZAONFV-UHFFFAOYSA-N
MW207.28 g/mol
LogP0.61
Rot. Bonds2

About 6-methyl-4-(methylaminomethyl)-5,6,7,8-tetrahydro-1H-quinazolin-2-one

6-methyl-4-(methylaminomethyl)-5,6,7,8-tetrahydro-1H-quinazolin-2-one (PubChem CID 83848487) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 6-methyl-4-(methylaminomethyl)-5,6,7,8-tetrahydro-1H-quinazolin-2-one.

Molecular Properties

Compound Name6-methyl-4-(methylaminomethyl)-5,6,7,8-tetrahydro-1H-quinazolin-2-one
PubChem CID83848487
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name6-methyl-4-(methylaminomethyl)-5,6,7,8-tetrahydro-1H-quinazolin-2-one
SMILESCNCc1nc(=O)[nH]c2c1CC(C)CC2
InChIInChI=1S/C11H17N3O/c1-7-3-4-9-8(5-7)10(6-12-2)14-11(15)13-9/h7,12H,3-6H2,1-2H3,(H,13,14,15)
InChIKeyNFRQMZJOZAONFV-UHFFFAOYSA-N
XLogP0.61
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 ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-(methylaminomethyl)-5,6,7,8-tetrahydro-1H-quinazolin-2-one?
The IUPAC name of 6-methyl-4-(methylaminomethyl)-5,6,7,8-tetrahydro-1H-quinazolin-2-one (CID 83848487) is 6-methyl-4-(methylaminomethyl)-5,6,7,8-tetrahydro-1H-quinazolin-2-one.
What is the SMILES notation for 6-methyl-4-(methylaminomethyl)-5,6,7,8-tetrahydro-1H-quinazolin-2-one?
The canonical SMILES for 6-methyl-4-(methylaminomethyl)-5,6,7,8-tetrahydro-1H-quinazolin-2-one is CNCc1nc(=O)[nH]c2c1CC(C)CC2.
What is the InChIKey of 6-methyl-4-(methylaminomethyl)-5,6,7,8-tetrahydro-1H-quinazolin-2-one?
The InChIKey is NFRQMZJOZAONFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-7-3-4-9-8(5-7)10(6-12-2)14-11(15)13-9/h7,12H,3-6H2,1-2H3,(H,13,14,15).
What are the key properties of 6-methyl-4-(methylaminomethyl)-5,6,7,8-tetrahydro-1H-quinazolin-2-one?
6-methyl-4-(methylaminomethyl)-5,6,7,8-tetrahydro-1H-quinazolin-2-one has a molecular weight of 207.28 g/mol, XLogP of 0.61, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-(methylaminomethyl)-5,6,7,8-tetrahydro-1H-quinazolin-2-one is sourced from PubChem (CID 83848487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).