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

C11H17N3O — CID 83861976

IUPAC5-(aminomethyl)-4-ethyl-5,6,7,8-tetrahydro-1H-quinazolin-2-one
SMILESCCc1nc(=O)[nH]c2c1C(CN)CCC2
InChIInChI=1S/C11H17N3O/c1-2-8-10-7(6-12)4-3-5-9(10)14-11(15)13-8/h7H,2-6,12H2,1H3,(H,13,14,15)
InChIKeyVUWGJSSFNQLUHE-UHFFFAOYSA-N
MW207.28 g/mol
LogP0.71
Rot. Bonds2

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

5-(aminomethyl)-4-ethyl-5,6,7,8-tetrahydro-1H-quinazolin-2-one (PubChem CID 83861976) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 5-(aminomethyl)-4-ethyl-5,6,7,8-tetrahydro-1H-quinazolin-2-one.

Molecular Properties

Compound Name5-(aminomethyl)-4-ethyl-5,6,7,8-tetrahydro-1H-quinazolin-2-one
PubChem CID83861976
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name5-(aminomethyl)-4-ethyl-5,6,7,8-tetrahydro-1H-quinazolin-2-one
SMILESCCc1nc(=O)[nH]c2c1C(CN)CCC2
InChIInChI=1S/C11H17N3O/c1-2-8-10-7(6-12)4-3-5-9(10)14-11(15)13-8/h7H,2-6,12H2,1H3,(H,13,14,15)
InChIKeyVUWGJSSFNQLUHE-UHFFFAOYSA-N
XLogP0.71
TPSA71.77 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 ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-4-ethyl-5,6,7,8-tetrahydro-1H-quinazolin-2-one?
The IUPAC name of 5-(aminomethyl)-4-ethyl-5,6,7,8-tetrahydro-1H-quinazolin-2-one (CID 83861976) is 5-(aminomethyl)-4-ethyl-5,6,7,8-tetrahydro-1H-quinazolin-2-one.
What is the SMILES notation for 5-(aminomethyl)-4-ethyl-5,6,7,8-tetrahydro-1H-quinazolin-2-one?
The canonical SMILES for 5-(aminomethyl)-4-ethyl-5,6,7,8-tetrahydro-1H-quinazolin-2-one is CCc1nc(=O)[nH]c2c1C(CN)CCC2.
What is the InChIKey of 5-(aminomethyl)-4-ethyl-5,6,7,8-tetrahydro-1H-quinazolin-2-one?
The InChIKey is VUWGJSSFNQLUHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-2-8-10-7(6-12)4-3-5-9(10)14-11(15)13-8/h7H,2-6,12H2,1H3,(H,13,14,15).
What are the key properties of 5-(aminomethyl)-4-ethyl-5,6,7,8-tetrahydro-1H-quinazolin-2-one?
5-(aminomethyl)-4-ethyl-5,6,7,8-tetrahydro-1H-quinazolin-2-one has a molecular weight of 207.28 g/mol, XLogP of 0.71, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-4-ethyl-5,6,7,8-tetrahydro-1H-quinazolin-2-one is sourced from PubChem (CID 83861976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).