2-amino-7-(furan-2-yl)-7,8-dihydro-6H-quinazolin-5-one

C12H11N3O2 — CID 2772368

IUPAC2-amino-7-(furan-2-yl)-7,8-dihydro-6H-quinazolin-5-one
SMILESNc1ncc2c(n1)CC(c1ccco1)CC2=O
InChIInChI=1S/C12H11N3O2/c13-12-14-6-8-9(15-12)4-7(5-10(8)16)11-2-1-3-17-11/h1-3,6-7H,4-5H2,(H2,13,14,15)
InChIKeySOJUSNIBPPMLCC-UHFFFAOYSA-N
MW229.24 g/mol
LogP1.56
Rot. Bonds1

About 2-amino-7-(furan-2-yl)-7,8-dihydro-6H-quinazolin-5-one

2-amino-7-(furan-2-yl)-7,8-dihydro-6H-quinazolin-5-one (PubChem CID 2772368) has the molecular formula C12H11N3O2 and a molecular weight of 229.24 g/mol. Its IUPAC name is 2-amino-7-(furan-2-yl)-7,8-dihydro-6H-quinazolin-5-one.

Molecular Properties

Compound Name2-amino-7-(furan-2-yl)-7,8-dihydro-6H-quinazolin-5-one
PubChem CID2772368
Molecular FormulaC12H11N3O2
Molecular Weight229.24 g/mol
Exact Mass229.09
IUPAC Name2-amino-7-(furan-2-yl)-7,8-dihydro-6H-quinazolin-5-one
SMILESNc1ncc2c(n1)CC(c1ccco1)CC2=O
InChIInChI=1S/C12H11N3O2/c13-12-14-6-8-9(15-12)4-7(5-10(8)16)11-2-1-3-17-11/h1-3,6-7H,4-5H2,(H2,13,14,15)
InChIKeySOJUSNIBPPMLCC-UHFFFAOYSA-N
XLogP1.56
TPSA82.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-amino-7-(furan-2-yl)-7,8-dihydro-6H-quinazolin-5-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 2-amino-7-(furan-2-yl)-7,8-dihydro-6H-quinazolin-5-one?
The IUPAC name of 2-amino-7-(furan-2-yl)-7,8-dihydro-6H-quinazolin-5-one (CID 2772368) is 2-amino-7-(furan-2-yl)-7,8-dihydro-6H-quinazolin-5-one.
What is the SMILES notation for 2-amino-7-(furan-2-yl)-7,8-dihydro-6H-quinazolin-5-one?
The canonical SMILES for 2-amino-7-(furan-2-yl)-7,8-dihydro-6H-quinazolin-5-one is Nc1ncc2c(n1)CC(c1ccco1)CC2=O.
What is the InChIKey of 2-amino-7-(furan-2-yl)-7,8-dihydro-6H-quinazolin-5-one?
The InChIKey is SOJUSNIBPPMLCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O2/c13-12-14-6-8-9(15-12)4-7(5-10(8)16)11-2-1-3-17-11/h1-3,6-7H,4-5H2,(H2,13,14,15).
What are the key properties of 2-amino-7-(furan-2-yl)-7,8-dihydro-6H-quinazolin-5-one?
2-amino-7-(furan-2-yl)-7,8-dihydro-6H-quinazolin-5-one has a molecular weight of 229.24 g/mol, XLogP of 1.56, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-7-(furan-2-yl)-7,8-dihydro-6H-quinazolin-5-one is sourced from PubChem (CID 2772368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).