2-chloro-7-ethoxy-5-oxidophenazin-5-ium

C14H11ClN2O2 — CID 102009314

IUPAC2-chloro-7-ethoxy-5-oxidophenazin-5-ium
SMILESCCOc1ccc2nc3cc(Cl)ccc3[n+]([O-])c2c1
InChIInChI=1S/C14H11ClN2O2/c1-2-19-10-4-5-11-14(8-10)17(18)13-6-3-9(15)7-12(13)16-11/h3-8H,2H2,1H3
InChIKeyOAJLNOIAXGPWRT-UHFFFAOYSA-N
MW274.71 g/mol
LogP3.07
Rot. Bonds2

About 2-chloro-7-ethoxy-5-oxidophenazin-5-ium

2-chloro-7-ethoxy-5-oxidophenazin-5-ium (PubChem CID 102009314) has the molecular formula C14H11ClN2O2 and a molecular weight of 274.71 g/mol. Its IUPAC name is 2-chloro-7-ethoxy-5-oxidophenazin-5-ium.

Molecular Properties

Compound Name2-chloro-7-ethoxy-5-oxidophenazin-5-ium
PubChem CID102009314
Molecular FormulaC14H11ClN2O2
Molecular Weight274.71 g/mol
Exact Mass274.05
IUPAC Name2-chloro-7-ethoxy-5-oxidophenazin-5-ium
SMILESCCOc1ccc2nc3cc(Cl)ccc3[n+]([O-])c2c1
InChIInChI=1S/C14H11ClN2O2/c1-2-19-10-4-5-11-14(8-10)17(18)13-6-3-9(15)7-12(13)16-11/h3-8H,2H2,1H3
InChIKeyOAJLNOIAXGPWRT-UHFFFAOYSA-N
XLogP3.07
TPSA49.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.71
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_pyridiniums_A(39)', 'substructure': 'N/A'}, {'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 2-chloro-7-ethoxy-5-oxidophenazin-5-ium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-chloro-2-ethoxyacridin-9-amine
CID 71700026
(3-acetyl-6-ethoxy-4-oxidoquinoxalin-4-ium-2-yl)methyl benzoate
CID 2043744
2-chloro-6-ethoxy-3-methylquinoxaline
CID 133062262
4-chloro-2-(4-ethoxyphenyl)pyridine
CID 102825071
ethyl 7-ethoxy-3-[(4-methylbenzoyl)oxymethyl]-1-oxidoquinoxalin-1-ium-2-carboxylate
CID 3796441
(3-benzoyl-6-ethoxy-4-oxidoquinoxalin-4-ium-2-yl)methyl butanoate
CID 3801874
4-(6-ethoxy-4-oxidoquinoxalin-4-ium-2-yl)butanoic acid
CID 119026976
methyl 7-ethoxy-1-oxido-3-(pyridine-2-carbonyloxymethyl)quinoxalin-1-ium-2-carboxylate
CID 3809538
methyl 7-ethoxy-3-(furan-2-carbonyloxymethyl)-1-oxidoquinoxalin-1-ium-2-carboxylate
CID 3616119
2-chloro-7-ethoxy-3-methylquinoline
CID 145082192
2,4-dichloro-6-ethoxy-3-nitroquinoline
CID 97181878
6-ethoxy-2-ethylsulfanyl-1H-benzimidazole;hypochlorous acid
CID 159344555

Frequently Asked Questions

What is the IUPAC name of 2-chloro-7-ethoxy-5-oxidophenazin-5-ium?
The IUPAC name of 2-chloro-7-ethoxy-5-oxidophenazin-5-ium (CID 102009314) is 2-chloro-7-ethoxy-5-oxidophenazin-5-ium.
What is the SMILES notation for 2-chloro-7-ethoxy-5-oxidophenazin-5-ium?
The canonical SMILES for 2-chloro-7-ethoxy-5-oxidophenazin-5-ium is CCOc1ccc2nc3cc(Cl)ccc3[n+]([O-])c2c1.
What is the InChIKey of 2-chloro-7-ethoxy-5-oxidophenazin-5-ium?
The InChIKey is OAJLNOIAXGPWRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2O2/c1-2-19-10-4-5-11-14(8-10)17(18)13-6-3-9(15)7-12(13)16-11/h3-8H,2H2,1H3.
What are the key properties of 2-chloro-7-ethoxy-5-oxidophenazin-5-ium?
2-chloro-7-ethoxy-5-oxidophenazin-5-ium has a molecular weight of 274.71 g/mol, XLogP of 3.07, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-7-ethoxy-5-oxidophenazin-5-ium is sourced from PubChem (CID 102009314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).