8-(2-aminoethyl)-3H-quinazolin-4-one

C10H11N3O — CID 174220949

IUPAC8-(2-aminoethyl)-3H-quinazolin-4-one
SMILESNCCc1cccc2c(=O)[nH]cnc12
InChIInChI=1S/C10H11N3O/c11-5-4-7-2-1-3-8-9(7)12-6-13-10(8)14/h1-3,6H,4-5,11H2,(H,12,13,14)
InChIKeyWUEVGIQNLUWJAN-UHFFFAOYSA-N
MW189.22 g/mol
LogP0.42
Rot. Bonds2

About 8-(2-aminoethyl)-3H-quinazolin-4-one

8-(2-aminoethyl)-3H-quinazolin-4-one (PubChem CID 174220949) has the molecular formula C10H11N3O and a molecular weight of 189.22 g/mol. Its IUPAC name is 8-(2-aminoethyl)-3H-quinazolin-4-one.

Molecular Properties

Compound Name8-(2-aminoethyl)-3H-quinazolin-4-one
PubChem CID174220949
Molecular FormulaC10H11N3O
Molecular Weight189.22 g/mol
Exact Mass189.09
IUPAC Name8-(2-aminoethyl)-3H-quinazolin-4-one
SMILESNCCc1cccc2c(=O)[nH]cnc12
InChIInChI=1S/C10H11N3O/c11-5-4-7-2-1-3-8-9(7)12-6-13-10(8)14/h1-3,6H,4-5,11H2,(H,12,13,14)
InChIKeyWUEVGIQNLUWJAN-UHFFFAOYSA-N
XLogP0.42
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 8-(2-aminoethyl)-3H-quinazolin-4-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 8-(2-aminoethyl)-3H-quinazolin-4-one?
The IUPAC name of 8-(2-aminoethyl)-3H-quinazolin-4-one (CID 174220949) is 8-(2-aminoethyl)-3H-quinazolin-4-one.
What is the SMILES notation for 8-(2-aminoethyl)-3H-quinazolin-4-one?
The canonical SMILES for 8-(2-aminoethyl)-3H-quinazolin-4-one is NCCc1cccc2c(=O)[nH]cnc12.
What is the InChIKey of 8-(2-aminoethyl)-3H-quinazolin-4-one?
The InChIKey is WUEVGIQNLUWJAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O/c11-5-4-7-2-1-3-8-9(7)12-6-13-10(8)14/h1-3,6H,4-5,11H2,(H,12,13,14).
What are the key properties of 8-(2-aminoethyl)-3H-quinazolin-4-one?
8-(2-aminoethyl)-3H-quinazolin-4-one has a molecular weight of 189.22 g/mol, XLogP of 0.42, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-aminoethyl)-3H-quinazolin-4-one is sourced from PubChem (CID 174220949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).