2-[2-(5,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium-2-yl)ethoxy]ethanamine

C21H24N3O+ — CID 90682276

IUPAC2-[2-(5,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium-2-yl)ethoxy]ethanamine
SMILESCc1c2cc[n+](CCOCCN)cc2c(C)c2c1[nH]c1ccccc12
InChIInChI=1S/C21H23N3O/c1-14-18-13-24(10-12-25-11-8-22)9-7-16(18)15(2)21-20(14)17-5-3-4-6-19(17)23-21/h3-7,9,13H,8,10-12,22H2,1-2H3/p+1
InChIKeyPFNWPBFEFAYXKO-UHFFFAOYSA-O
MW334.44 g/mol
LogP3.35
Rot. Bonds5

About 2-[2-(5,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium-2-yl)ethoxy]ethanamine

2-[2-(5,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium-2-yl)ethoxy]ethanamine (PubChem CID 90682276) has the molecular formula C21H24N3O+ and a molecular weight of 334.44 g/mol. Its IUPAC name is 2-[2-(5,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium-2-yl)ethoxy]ethanamine.

Molecular Properties

Compound Name2-[2-(5,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium-2-yl)ethoxy]ethanamine
PubChem CID90682276
Molecular FormulaC21H24N3O+
Molecular Weight334.44 g/mol
Exact Mass334.19
IUPAC Name2-[2-(5,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium-2-yl)ethoxy]ethanamine
SMILESCc1c2cc[n+](CCOCCN)cc2c(C)c2c1[nH]c1ccccc12
InChIInChI=1S/C21H23N3O/c1-14-18-13-24(10-12-25-11-8-22)9-7-16(18)15(2)21-20(14)17-5-3-4-6-19(17)23-21/h3-7,9,13H,8,10-12,22H2,1-2H3/p+1
InChIKeyPFNWPBFEFAYXKO-UHFFFAOYSA-O
XLogP3.35
TPSA54.92 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[2-(5,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium-2-yl)ethoxy]ethanamine 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

5,11-dimethyl-2-propyl-6H-pyrido[4,3-b]carbazol-2-ium;hydrobromide
CID 158096242
4-(5,11-dimethyl-10H-pyrido[3,4-b]carbazol-2-ium-2-yl)butanenitrile chloride
CID 70676740
(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-(5,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium-2-yl)ethoxy]ethoxy]ethoxy]ethoxy]propanoate
CID 121241710
2-(5-azidopentyl)-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium
CID 121242027
2-benzyl-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium bromide
CID 71683150
2,5,11-trimethyl-6H-pyrido[4,3-b]carbazol-2-ium;hydroiodide
CID 161443483
methyl 11-methyl-2-[2-[2-(methylcarbamoylamino)ethoxy]ethyl]-6H-pyrido[4,3-b]carbazol-2-ium-5-carboxylate
CID 134139601
N-[2-(2-aminoethoxy)ethyl]-2,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium-5-carboxamide
CID 134149656
methyl 11-methyl-2-[2-[2-[[methyl(nitroso)carbamoyl]amino]ethoxy]ethyl]-6H-pyrido[4,3-b]carbazol-2-ium-5-carboxylate chloride
CID 90682287
(3S,4R,5S)-2-(5,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium-2-yl)-5-(hydroxymethyl)oxolane-3,4-diol bromide
CID 46874352
N-(3-aminopropyl)-2,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium-5-carboxamide chloride
CID 134156652
2-[9-(9H-pyrido[3,4-b]indol-2-ium-2-yl)nonyl]-9H-pyrido[3,4-b]indol-2-ium
CID 46222889

Frequently Asked Questions

What is the IUPAC name of 2-[2-(5,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium-2-yl)ethoxy]ethanamine?
The IUPAC name of 2-[2-(5,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium-2-yl)ethoxy]ethanamine (CID 90682276) is 2-[2-(5,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium-2-yl)ethoxy]ethanamine.
What is the SMILES notation for 2-[2-(5,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium-2-yl)ethoxy]ethanamine?
The canonical SMILES for 2-[2-(5,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium-2-yl)ethoxy]ethanamine is Cc1c2cc[n+](CCOCCN)cc2c(C)c2c1[nH]c1ccccc12.
What is the InChIKey of 2-[2-(5,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium-2-yl)ethoxy]ethanamine?
The InChIKey is PFNWPBFEFAYXKO-UHFFFAOYSA-O. The full InChI is InChI=1S/C21H23N3O/c1-14-18-13-24(10-12-25-11-8-22)9-7-16(18)15(2)21-20(14)17-5-3-4-6-19(17)23-21/h3-7,9,13H,8,10-12,22H2,1-2H3/p+1.
What are the key properties of 2-[2-(5,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium-2-yl)ethoxy]ethanamine?
2-[2-(5,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium-2-yl)ethoxy]ethanamine has a molecular weight of 334.44 g/mol, XLogP of 3.35, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium-2-yl)ethoxy]ethanamine is sourced from PubChem (CID 90682276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).