1,10-dimethylpyrido[2,3-f]quinoxaline-1,10-diium

C13H13N3+2 — CID 156662553

IUPAC1,10-dimethylpyrido[2,3-f]quinoxaline-1,10-diium
SMILESC[n+]1cccc2ccc3ncc[n+](C)c3c21
InChIInChI=1S/C13H13N3/c1-15-8-3-4-10-5-6-11-13(12(10)15)16(2)9-7-14-11/h3-9H,1-2H3/q+2
InChIKeyZACKPWVDOCOGAH-UHFFFAOYSA-N
MW211.27 g/mol
LogP1.04
Rot. Bonds

About 1,10-dimethylpyrido[2,3-f]quinoxaline-1,10-diium

1,10-dimethylpyrido[2,3-f]quinoxaline-1,10-diium (PubChem CID 156662553) has the molecular formula C13H13N3+2 and a molecular weight of 211.27 g/mol. Its IUPAC name is 1,10-dimethylpyrido[2,3-f]quinoxaline-1,10-diium.

Molecular Properties

Compound Name1,10-dimethylpyrido[2,3-f]quinoxaline-1,10-diium
PubChem CID156662553
Molecular FormulaC13H13N3+2
Molecular Weight211.27 g/mol
Exact Mass211.11
IUPAC Name1,10-dimethylpyrido[2,3-f]quinoxaline-1,10-diium
SMILESC[n+]1cccc2ccc3ncc[n+](C)c3c21
InChIInChI=1S/C13H13N3/c1-15-8-3-4-10-5-6-11-13(12(10)15)16(2)9-7-14-11/h3-9H,1-2H3/q+2
InChIKeyZACKPWVDOCOGAH-UHFFFAOYSA-N
XLogP1.04
TPSA20.65 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.27
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

1-methylquinolin-1-ium-8-ol;chloride;hydrate
CID 71430086
1-methyl-8-(2-methylphenyl)quinolin-1-ium
CID 176621990
carbanide;(Z)-4-hydroxypent-3-en-2-one;1-methyl-1,10-phenanthrolin-1-ium;propane;terbium
CID 145493794
1-(2-bromoethyl)-1,7-phenanthrolin-1-ium
CID 102246001
9-bromo-1-methyl-1,10-phenanthrolin-1-ium;hydrogen sulfate
CID 86671115
1,12-dimethylbenzo[f][1,10]phenanthroline-1,12-diium
CID 123562585
4,19-dimethyl-2,9-diaza-19-azoniapentacyclo[10.8.0.02,10.03,8.015,20]icosa-1(12),3,5,7,9,13,15(20),16,18-nonaene
CID 159791463
(1-methylquinolin-1-ium-8-yl) acetate iodide
CID 44889476
benzo[f]quinoline;iodomethane
CID 21121996
8-butoxy-1-methyl-7-[4-(1-phenylbenzimidazol-2-yl)naphthalen-1-yl]quinolin-1-ium
CID 123909877
1,10-ditert-butyl-1,10-phenanthroline-1,10-diium;ethane
CID 158514137
methanol;1,7-phenanthroline
CID 174496893

Frequently Asked Questions

What is the IUPAC name of 1,10-dimethylpyrido[2,3-f]quinoxaline-1,10-diium?
The IUPAC name of 1,10-dimethylpyrido[2,3-f]quinoxaline-1,10-diium (CID 156662553) is 1,10-dimethylpyrido[2,3-f]quinoxaline-1,10-diium.
What is the SMILES notation for 1,10-dimethylpyrido[2,3-f]quinoxaline-1,10-diium?
The canonical SMILES for 1,10-dimethylpyrido[2,3-f]quinoxaline-1,10-diium is C[n+]1cccc2ccc3ncc[n+](C)c3c21.
What is the InChIKey of 1,10-dimethylpyrido[2,3-f]quinoxaline-1,10-diium?
The InChIKey is ZACKPWVDOCOGAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3/c1-15-8-3-4-10-5-6-11-13(12(10)15)16(2)9-7-14-11/h3-9H,1-2H3/q+2.
What are the key properties of 1,10-dimethylpyrido[2,3-f]quinoxaline-1,10-diium?
1,10-dimethylpyrido[2,3-f]quinoxaline-1,10-diium has a molecular weight of 211.27 g/mol, XLogP of 1.04, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,10-dimethylpyrido[2,3-f]quinoxaline-1,10-diium is sourced from PubChem (CID 156662553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).