3-(hydroxymethyl)pyrido[3,2-g]quinoline-5,10-dione

C13H8N2O3 — CID 11064504

IUPAC3-(hydroxymethyl)pyrido[3,2-g]quinoline-5,10-dione
SMILESO=C1c2cccnc2C(=O)c2ncc(CO)cc21
InChIInChI=1S/C13H8N2O3/c16-6-7-4-9-11(15-5-7)13(18)10-8(12(9)17)2-1-3-14-10/h1-5,16H,6H2
InChIKeyZKEHMUGJKIDIOH-UHFFFAOYSA-N
MW240.22 g/mol
LogP0.74
Rot. Bonds1

About 3-(hydroxymethyl)pyrido[3,2-g]quinoline-5,10-dione

3-(hydroxymethyl)pyrido[3,2-g]quinoline-5,10-dione (PubChem CID 11064504) has the molecular formula C13H8N2O3 and a molecular weight of 240.22 g/mol. Its IUPAC name is 3-(hydroxymethyl)pyrido[3,2-g]quinoline-5,10-dione.

Molecular Properties

Compound Name3-(hydroxymethyl)pyrido[3,2-g]quinoline-5,10-dione
PubChem CID11064504
Molecular FormulaC13H8N2O3
Molecular Weight240.22 g/mol
Exact Mass240.05
IUPAC Name3-(hydroxymethyl)pyrido[3,2-g]quinoline-5,10-dione
SMILESO=C1c2cccnc2C(=O)c2ncc(CO)cc21
InChIInChI=1S/C13H8N2O3/c16-6-7-4-9-11(15-5-7)13(18)10-8(12(9)17)2-1-3-14-10/h1-5,16H,6H2
InChIKeyZKEHMUGJKIDIOH-UHFFFAOYSA-N
XLogP0.74
TPSA80.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.22
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

Analyze 3-(hydroxymethyl)pyrido[3,2-g]quinoline-5,10-dione 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 3-(hydroxymethyl)pyrido[3,2-g]quinoline-5,10-dione?
The IUPAC name of 3-(hydroxymethyl)pyrido[3,2-g]quinoline-5,10-dione (CID 11064504) is 3-(hydroxymethyl)pyrido[3,2-g]quinoline-5,10-dione.
What is the SMILES notation for 3-(hydroxymethyl)pyrido[3,2-g]quinoline-5,10-dione?
The canonical SMILES for 3-(hydroxymethyl)pyrido[3,2-g]quinoline-5,10-dione is O=C1c2cccnc2C(=O)c2ncc(CO)cc21.
What is the InChIKey of 3-(hydroxymethyl)pyrido[3,2-g]quinoline-5,10-dione?
The InChIKey is ZKEHMUGJKIDIOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8N2O3/c16-6-7-4-9-11(15-5-7)13(18)10-8(12(9)17)2-1-3-14-10/h1-5,16H,6H2.
What are the key properties of 3-(hydroxymethyl)pyrido[3,2-g]quinoline-5,10-dione?
3-(hydroxymethyl)pyrido[3,2-g]quinoline-5,10-dione has a molecular weight of 240.22 g/mol, XLogP of 0.74, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hydroxymethyl)pyrido[3,2-g]quinoline-5,10-dione is sourced from PubChem (CID 11064504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).