9b-hydroxy-5-methyl-4-oxo-[1,3]dioxolo[4,5-c]quinoline-3a-carboxamide

C12H12N2O5 — CID 141325455

IUPAC9b-hydroxy-5-methyl-4-oxo-[1,3]dioxolo[4,5-c]quinoline-3a-carboxamide
SMILESCN1C(=O)C2(C(N)=O)OCOC2(O)c2ccccc21
InChIInChI=1S/C12H12N2O5/c1-14-8-5-3-2-4-7(8)12(17)11(9(13)15,10(14)16)18-6-19-12/h2-5,17H,6H2,1H3,(H2,13,15)
InChIKeyWJRZRJGOMICGAQ-UHFFFAOYSA-N
MW264.24 g/mol
LogP-0.96
Rot. Bonds1

About 9b-hydroxy-5-methyl-4-oxo-[1,3]dioxolo[4,5-c]quinoline-3a-carboxamide

9b-hydroxy-5-methyl-4-oxo-[1,3]dioxolo[4,5-c]quinoline-3a-carboxamide (PubChem CID 141325455) has the molecular formula C12H12N2O5 and a molecular weight of 264.24 g/mol. Its IUPAC name is 9b-hydroxy-5-methyl-4-oxo-[1,3]dioxolo[4,5-c]quinoline-3a-carboxamide.

Molecular Properties

Compound Name9b-hydroxy-5-methyl-4-oxo-[1,3]dioxolo[4,5-c]quinoline-3a-carboxamide
PubChem CID141325455
Molecular FormulaC12H12N2O5
Molecular Weight264.24 g/mol
Exact Mass264.07
IUPAC Name9b-hydroxy-5-methyl-4-oxo-[1,3]dioxolo[4,5-c]quinoline-3a-carboxamide
SMILESCN1C(=O)C2(C(N)=O)OCOC2(O)c2ccccc21
InChIInChI=1S/C12H12N2O5/c1-14-8-5-3-2-4-7(8)12(17)11(9(13)15,10(14)16)18-6-19-12/h2-5,17H,6H2,1H3,(H2,13,15)
InChIKeyWJRZRJGOMICGAQ-UHFFFAOYSA-N
XLogP-0.96
TPSA102.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.24
LogP ≤ 5-0.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 9b-hydroxy-5-methyl-4-oxo-[1,3]dioxolo[4,5-c]quinoline-3a-carboxamide 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 9b-hydroxy-5-methyl-4-oxo-[1,3]dioxolo[4,5-c]quinoline-3a-carboxamide?
The IUPAC name of 9b-hydroxy-5-methyl-4-oxo-[1,3]dioxolo[4,5-c]quinoline-3a-carboxamide (CID 141325455) is 9b-hydroxy-5-methyl-4-oxo-[1,3]dioxolo[4,5-c]quinoline-3a-carboxamide.
What is the SMILES notation for 9b-hydroxy-5-methyl-4-oxo-[1,3]dioxolo[4,5-c]quinoline-3a-carboxamide?
The canonical SMILES for 9b-hydroxy-5-methyl-4-oxo-[1,3]dioxolo[4,5-c]quinoline-3a-carboxamide is CN1C(=O)C2(C(N)=O)OCOC2(O)c2ccccc21.
What is the InChIKey of 9b-hydroxy-5-methyl-4-oxo-[1,3]dioxolo[4,5-c]quinoline-3a-carboxamide?
The InChIKey is WJRZRJGOMICGAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O5/c1-14-8-5-3-2-4-7(8)12(17)11(9(13)15,10(14)16)18-6-19-12/h2-5,17H,6H2,1H3,(H2,13,15).
What are the key properties of 9b-hydroxy-5-methyl-4-oxo-[1,3]dioxolo[4,5-c]quinoline-3a-carboxamide?
9b-hydroxy-5-methyl-4-oxo-[1,3]dioxolo[4,5-c]quinoline-3a-carboxamide has a molecular weight of 264.24 g/mol, XLogP of -0.96, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9b-hydroxy-5-methyl-4-oxo-[1,3]dioxolo[4,5-c]quinoline-3a-carboxamide is sourced from PubChem (CID 141325455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).