6-amino-2-morpholin-4-yl-3H-quinazolin-4-one

C12H14N4O2 — CID 136808511

IUPAC6-amino-2-morpholin-4-yl-3H-quinazolin-4-one
SMILESNc1ccc2nc(N3CCOCC3)[nH]c(=O)c2c1
InChIInChI=1S/C12H14N4O2/c13-8-1-2-10-9(7-8)11(17)15-12(14-10)16-3-5-18-6-4-16/h1-2,7H,3-6,13H2,(H,14,15,17)
InChIKeyGRAHIBDAVCDGAP-UHFFFAOYSA-N
MW246.27 g/mol
LogP0.34
Rot. Bonds1

About 6-amino-2-morpholin-4-yl-3H-quinazolin-4-one

6-amino-2-morpholin-4-yl-3H-quinazolin-4-one (PubChem CID 136808511) has the molecular formula C12H14N4O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is 6-amino-2-morpholin-4-yl-3H-quinazolin-4-one.

Molecular Properties

Compound Name6-amino-2-morpholin-4-yl-3H-quinazolin-4-one
PubChem CID136808511
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC Name6-amino-2-morpholin-4-yl-3H-quinazolin-4-one
SMILESNc1ccc2nc(N3CCOCC3)[nH]c(=O)c2c1
InChIInChI=1S/C12H14N4O2/c13-8-1-2-10-9(7-8)11(17)15-12(14-10)16-3-5-18-6-4-16/h1-2,7H,3-6,13H2,(H,14,15,17)
InChIKeyGRAHIBDAVCDGAP-UHFFFAOYSA-N
XLogP0.34
TPSA84.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 6-amino-2-morpholin-4-yl-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 6-amino-2-morpholin-4-yl-3H-quinazolin-4-one?
The IUPAC name of 6-amino-2-morpholin-4-yl-3H-quinazolin-4-one (CID 136808511) is 6-amino-2-morpholin-4-yl-3H-quinazolin-4-one.
What is the SMILES notation for 6-amino-2-morpholin-4-yl-3H-quinazolin-4-one?
The canonical SMILES for 6-amino-2-morpholin-4-yl-3H-quinazolin-4-one is Nc1ccc2nc(N3CCOCC3)[nH]c(=O)c2c1.
What is the InChIKey of 6-amino-2-morpholin-4-yl-3H-quinazolin-4-one?
The InChIKey is GRAHIBDAVCDGAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2/c13-8-1-2-10-9(7-8)11(17)15-12(14-10)16-3-5-18-6-4-16/h1-2,7H,3-6,13H2,(H,14,15,17).
What are the key properties of 6-amino-2-morpholin-4-yl-3H-quinazolin-4-one?
6-amino-2-morpholin-4-yl-3H-quinazolin-4-one has a molecular weight of 246.27 g/mol, XLogP of 0.34, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-morpholin-4-yl-3H-quinazolin-4-one is sourced from PubChem (CID 136808511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).