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

C12H19N3O — CID 83861975

IUPAC4-ethyl-5-(methylaminomethyl)-5,6,7,8-tetrahydro-1H-quinazolin-2-one
SMILESCCc1nc(=O)[nH]c2c1C(CNC)CCC2
InChIInChI=1S/C12H19N3O/c1-3-9-11-8(7-13-2)5-4-6-10(11)15-12(16)14-9/h8,13H,3-7H2,1-2H3,(H,14,15,16)
InChIKeyWKXSDRMLYXIYKJ-UHFFFAOYSA-N
MW221.30 g/mol
LogP0.97
Rot. Bonds3

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

4-ethyl-5-(methylaminomethyl)-5,6,7,8-tetrahydro-1H-quinazolin-2-one (PubChem CID 83861975) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 4-ethyl-5-(methylaminomethyl)-5,6,7,8-tetrahydro-1H-quinazolin-2-one.

Molecular Properties

Compound Name4-ethyl-5-(methylaminomethyl)-5,6,7,8-tetrahydro-1H-quinazolin-2-one
PubChem CID83861975
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name4-ethyl-5-(methylaminomethyl)-5,6,7,8-tetrahydro-1H-quinazolin-2-one
SMILESCCc1nc(=O)[nH]c2c1C(CNC)CCC2
InChIInChI=1S/C12H19N3O/c1-3-9-11-8(7-13-2)5-4-6-10(11)15-12(16)14-9/h8,13H,3-7H2,1-2H3,(H,14,15,16)
InChIKeyWKXSDRMLYXIYKJ-UHFFFAOYSA-N
XLogP0.97
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5-(methylaminomethyl)-5,6,7,8-tetrahydro-1H-quinazolin-2-one?
The IUPAC name of 4-ethyl-5-(methylaminomethyl)-5,6,7,8-tetrahydro-1H-quinazolin-2-one (CID 83861975) is 4-ethyl-5-(methylaminomethyl)-5,6,7,8-tetrahydro-1H-quinazolin-2-one.
What is the SMILES notation for 4-ethyl-5-(methylaminomethyl)-5,6,7,8-tetrahydro-1H-quinazolin-2-one?
The canonical SMILES for 4-ethyl-5-(methylaminomethyl)-5,6,7,8-tetrahydro-1H-quinazolin-2-one is CCc1nc(=O)[nH]c2c1C(CNC)CCC2.
What is the InChIKey of 4-ethyl-5-(methylaminomethyl)-5,6,7,8-tetrahydro-1H-quinazolin-2-one?
The InChIKey is WKXSDRMLYXIYKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-3-9-11-8(7-13-2)5-4-6-10(11)15-12(16)14-9/h8,13H,3-7H2,1-2H3,(H,14,15,16).
What are the key properties of 4-ethyl-5-(methylaminomethyl)-5,6,7,8-tetrahydro-1H-quinazolin-2-one?
4-ethyl-5-(methylaminomethyl)-5,6,7,8-tetrahydro-1H-quinazolin-2-one has a molecular weight of 221.30 g/mol, XLogP of 0.97, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-(methylaminomethyl)-5,6,7,8-tetrahydro-1H-quinazolin-2-one is sourced from PubChem (CID 83861975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).