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

C10H15N3O — CID 83847317

IUPAC4-(1-aminoethyl)-5,6,7,8-tetrahydro-1H-quinazolin-2-one
SMILESCC(N)c1nc(=O)[nH]c2c1CCCC2
InChIInChI=1S/C10H15N3O/c1-6(11)9-7-4-2-3-5-8(7)12-10(14)13-9/h6H,2-5,11H2,1H3,(H,12,13,14)
InChIKeyCJATUPVHOFOJDM-UHFFFAOYSA-N
MW193.25 g/mol
LogP0.67
Rot. Bonds1

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

4-(1-aminoethyl)-5,6,7,8-tetrahydro-1H-quinazolin-2-one (PubChem CID 83847317) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is 4-(1-aminoethyl)-5,6,7,8-tetrahydro-1H-quinazolin-2-one.

Molecular Properties

Compound Name4-(1-aminoethyl)-5,6,7,8-tetrahydro-1H-quinazolin-2-one
PubChem CID83847317
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC Name4-(1-aminoethyl)-5,6,7,8-tetrahydro-1H-quinazolin-2-one
SMILESCC(N)c1nc(=O)[nH]c2c1CCCC2
InChIInChI=1S/C10H15N3O/c1-6(11)9-7-4-2-3-5-8(7)12-10(14)13-9/h6H,2-5,11H2,1H3,(H,12,13,14)
InChIKeyCJATUPVHOFOJDM-UHFFFAOYSA-N
XLogP0.67
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1-aminoethyl)-5,6,7,8-tetrahydro-1H-quinazolin-2-one?
The IUPAC name of 4-(1-aminoethyl)-5,6,7,8-tetrahydro-1H-quinazolin-2-one (CID 83847317) is 4-(1-aminoethyl)-5,6,7,8-tetrahydro-1H-quinazolin-2-one.
What is the SMILES notation for 4-(1-aminoethyl)-5,6,7,8-tetrahydro-1H-quinazolin-2-one?
The canonical SMILES for 4-(1-aminoethyl)-5,6,7,8-tetrahydro-1H-quinazolin-2-one is CC(N)c1nc(=O)[nH]c2c1CCCC2.
What is the InChIKey of 4-(1-aminoethyl)-5,6,7,8-tetrahydro-1H-quinazolin-2-one?
The InChIKey is CJATUPVHOFOJDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O/c1-6(11)9-7-4-2-3-5-8(7)12-10(14)13-9/h6H,2-5,11H2,1H3,(H,12,13,14).
What are the key properties of 4-(1-aminoethyl)-5,6,7,8-tetrahydro-1H-quinazolin-2-one?
4-(1-aminoethyl)-5,6,7,8-tetrahydro-1H-quinazolin-2-one has a molecular weight of 193.25 g/mol, XLogP of 0.67, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-aminoethyl)-5,6,7,8-tetrahydro-1H-quinazolin-2-one is sourced from PubChem (CID 83847317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).