5-amino-4-hydroxy-2-quinolin-3-ylfuran-3-one

C13H10N2O3 — CID 90080720

IUPAC5-amino-4-hydroxy-2-quinolin-3-ylfuran-3-one
SMILESNC1=C(O)C(=O)C(c2cnc3ccccc3c2)O1
InChIInChI=1S/C13H10N2O3/c14-13-11(17)10(16)12(18-13)8-5-7-3-1-2-4-9(7)15-6-8/h1-6,12,17H,14H2
InChIKeyNYHXEIPXEBMQRE-UHFFFAOYSA-N
MW242.23 g/mol
LogP1.56
Rot. Bonds1

About 5-amino-4-hydroxy-2-quinolin-3-ylfuran-3-one

5-amino-4-hydroxy-2-quinolin-3-ylfuran-3-one (PubChem CID 90080720) has the molecular formula C13H10N2O3 and a molecular weight of 242.23 g/mol. Its IUPAC name is 5-amino-4-hydroxy-2-quinolin-3-ylfuran-3-one.

Molecular Properties

Compound Name5-amino-4-hydroxy-2-quinolin-3-ylfuran-3-one
PubChem CID90080720
Molecular FormulaC13H10N2O3
Molecular Weight242.23 g/mol
Exact Mass242.07
IUPAC Name5-amino-4-hydroxy-2-quinolin-3-ylfuran-3-one
SMILESNC1=C(O)C(=O)C(c2cnc3ccccc3c2)O1
InChIInChI=1S/C13H10N2O3/c14-13-11(17)10(16)12(18-13)8-5-7-3-1-2-4-9(7)15-6-8/h1-6,12,17H,14H2
InChIKeyNYHXEIPXEBMQRE-UHFFFAOYSA-N
XLogP1.56
TPSA85.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.23
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-amino-4-hydroxy-2-quinolin-3-ylfuran-3-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 5-amino-4-hydroxy-2-quinolin-3-ylfuran-3-one?
The IUPAC name of 5-amino-4-hydroxy-2-quinolin-3-ylfuran-3-one (CID 90080720) is 5-amino-4-hydroxy-2-quinolin-3-ylfuran-3-one.
What is the SMILES notation for 5-amino-4-hydroxy-2-quinolin-3-ylfuran-3-one?
The canonical SMILES for 5-amino-4-hydroxy-2-quinolin-3-ylfuran-3-one is NC1=C(O)C(=O)C(c2cnc3ccccc3c2)O1.
What is the InChIKey of 5-amino-4-hydroxy-2-quinolin-3-ylfuran-3-one?
The InChIKey is NYHXEIPXEBMQRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O3/c14-13-11(17)10(16)12(18-13)8-5-7-3-1-2-4-9(7)15-6-8/h1-6,12,17H,14H2.
What are the key properties of 5-amino-4-hydroxy-2-quinolin-3-ylfuran-3-one?
5-amino-4-hydroxy-2-quinolin-3-ylfuran-3-one has a molecular weight of 242.23 g/mol, XLogP of 1.56, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-hydroxy-2-quinolin-3-ylfuran-3-one is sourced from PubChem (CID 90080720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).