3-methyl-1-oxidopyrido[3,2-g]quinolin-1-ium-5,10-dione

C13H8N2O3 — CID 14357762

IUPAC3-methyl-1-oxidopyrido[3,2-g]quinolin-1-ium-5,10-dione
SMILESCc1cc2c([n+]([O-])c1)C(=O)c1ncccc1C2=O
InChIInChI=1S/C13H8N2O3/c1-7-5-9-11(15(18)6-7)13(17)10-8(12(9)16)3-2-4-14-10/h2-6H,1H3
InChIKeyRJWFJENPRBVKIV-UHFFFAOYSA-N
MW240.22 g/mol
LogP0.80
Rot. Bonds

About 3-methyl-1-oxidopyrido[3,2-g]quinolin-1-ium-5,10-dione

3-methyl-1-oxidopyrido[3,2-g]quinolin-1-ium-5,10-dione (PubChem CID 14357762) has the molecular formula C13H8N2O3 and a molecular weight of 240.22 g/mol. Its IUPAC name is 3-methyl-1-oxidopyrido[3,2-g]quinolin-1-ium-5,10-dione.

Molecular Properties

Compound Name3-methyl-1-oxidopyrido[3,2-g]quinolin-1-ium-5,10-dione
PubChem CID14357762
Molecular FormulaC13H8N2O3
Molecular Weight240.22 g/mol
Exact Mass240.05
IUPAC Name3-methyl-1-oxidopyrido[3,2-g]quinolin-1-ium-5,10-dione
SMILESCc1cc2c([n+]([O-])c1)C(=O)c1ncccc1C2=O
InChIInChI=1S/C13H8N2O3/c1-7-5-9-11(15(18)6-7)13(17)10-8(12(9)16)3-2-4-14-10/h2-6H,1H3
InChIKeyRJWFJENPRBVKIV-UHFFFAOYSA-N
XLogP0.80
TPSA73.97 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.22
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 3-methyl-1-oxidopyrido[3,2-g]quinolin-1-ium-5,10-dione with MolForge

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Related Compounds

4,7-phenanthroline-5,6-dione
CID 6764
5-phenyl-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-one
CID 177439145
2-(3-ethylsulfonyl-2-pyridinyl)-3,6-dimethyl-4-oxidoimidazo[4,5-b]pyridin-4-ium
CID 90275836
9,11-dimethylpyrido[2,3-b]acridine-5,12-dione
CID 10946126
3-[(dimethylamino)methyl]pyrido[3,2-g]quinoline-5,10-dione
CID 10880058
3-(bromomethyl)pyrido[3,2-g]quinoline-5,10-dione
CID 11141199
4,9-dioxofuro[3,2-g]quinoline-2-carbaldehyde
CID 142308030
anthracene-9,10-dione;2-methylpyridine;hydrobromide
CID 67625699
tris(acetonitrile);tris(1,10-phenanthroline-5,6-dione);ruthenium(2+);diperchlorate
CID 139123486
phenanthro[9,10-g]quinoline-9,14-dione
CID 71437214
CID 70154137
CID 70154137
4-methyl-N-(5-oxoquinolin-8-ylidene)benzenesulfonamide
CID 85435433

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-oxidopyrido[3,2-g]quinolin-1-ium-5,10-dione?
The IUPAC name of 3-methyl-1-oxidopyrido[3,2-g]quinolin-1-ium-5,10-dione (CID 14357762) is 3-methyl-1-oxidopyrido[3,2-g]quinolin-1-ium-5,10-dione.
What is the SMILES notation for 3-methyl-1-oxidopyrido[3,2-g]quinolin-1-ium-5,10-dione?
The canonical SMILES for 3-methyl-1-oxidopyrido[3,2-g]quinolin-1-ium-5,10-dione is Cc1cc2c([n+]([O-])c1)C(=O)c1ncccc1C2=O.
What is the InChIKey of 3-methyl-1-oxidopyrido[3,2-g]quinolin-1-ium-5,10-dione?
The InChIKey is RJWFJENPRBVKIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8N2O3/c1-7-5-9-11(15(18)6-7)13(17)10-8(12(9)16)3-2-4-14-10/h2-6H,1H3.
What are the key properties of 3-methyl-1-oxidopyrido[3,2-g]quinolin-1-ium-5,10-dione?
3-methyl-1-oxidopyrido[3,2-g]quinolin-1-ium-5,10-dione has a molecular weight of 240.22 g/mol, XLogP of 0.80, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-oxidopyrido[3,2-g]quinolin-1-ium-5,10-dione is sourced from PubChem (CID 14357762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).