6-(5,11-dimethyl-7,8-dihydro-6H-pyrido[4,3-b]carbazol-2-ium-2-yl)hexanoic acid

C23H27N2O2+ — CID 145050779

IUPAC6-(5,11-dimethyl-7,8-dihydro-6H-pyrido[4,3-b]carbazol-2-ium-2-yl)hexanoic acid
SMILESCc1c2cc[n+](CCCCCC(=O)O)cc2c(C)c2c3c([nH]c12)CCC=C3
InChIInChI=1S/C23H26N2O2/c1-15-19-14-25(12-7-3-4-10-21(26)27)13-11-17(19)16(2)23-22(15)18-8-5-6-9-20(18)24-23/h5,8,11,13-14H,3-4,6-7,9-10,12H2,1-2H3,(H,26,27)/p+1
InChIKeyMAQHGOIXMMFELH-UHFFFAOYSA-O
MW363.48 g/mol
LogP4.83
Rot. Bonds6

About 6-(5,11-dimethyl-7,8-dihydro-6H-pyrido[4,3-b]carbazol-2-ium-2-yl)hexanoic acid

6-(5,11-dimethyl-7,8-dihydro-6H-pyrido[4,3-b]carbazol-2-ium-2-yl)hexanoic acid (PubChem CID 145050779) has the molecular formula C23H27N2O2+ and a molecular weight of 363.48 g/mol. Its IUPAC name is 6-(5,11-dimethyl-7,8-dihydro-6H-pyrido[4,3-b]carbazol-2-ium-2-yl)hexanoic acid.

Molecular Properties

Compound Name6-(5,11-dimethyl-7,8-dihydro-6H-pyrido[4,3-b]carbazol-2-ium-2-yl)hexanoic acid
PubChem CID145050779
Molecular FormulaC23H27N2O2+
Molecular Weight363.48 g/mol
Exact Mass363.21
IUPAC Name6-(5,11-dimethyl-7,8-dihydro-6H-pyrido[4,3-b]carbazol-2-ium-2-yl)hexanoic acid
SMILESCc1c2cc[n+](CCCCCC(=O)O)cc2c(C)c2c3c([nH]c12)CCC=C3
InChIInChI=1S/C23H26N2O2/c1-15-19-14-25(12-7-3-4-10-21(26)27)13-11-17(19)16(2)23-22(15)18-8-5-6-9-20(18)24-23/h5,8,11,13-14H,3-4,6-7,9-10,12H2,1-2H3,(H,26,27)/p+1
InChIKeyMAQHGOIXMMFELH-UHFFFAOYSA-O
XLogP4.83
TPSA56.97 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.48
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 6-(5,11-dimethyl-7,8-dihydro-6H-pyrido[4,3-b]carbazol-2-ium-2-yl)hexanoic acid with MolForge

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Launch Full Analysis

Related Compounds

1-(5-carboxypentyl)-4-methylpyridin-1-ium-3-sulfonate
CID 22924831
(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
4-(5,11-dimethyl-10H-pyrido[3,4-b]carbazol-2-ium-2-yl)butanenitrile chloride
CID 70676740
6-[4-(1-methylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]hexanoic acid
CID 59445283
5,11-dimethyl-2-propyl-6H-pyrido[4,3-b]carbazol-2-ium;hydrobromide
CID 158096242
2-[2-(2-aminoethoxy)ethyl]-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium-9-ol chloride
CID 90682277
6-[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]pyridin-1-ium-1-yl]hexanoic acid
CID 66643442
6-[4-[(E)-prop-1-enyl]pyridin-1-ium-1-yl]hexanoic acid
CID 153366595
6-(13-methyl-6,13-diazoniatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4,6,8(16),9,11(15),12-octaen-6-yl)hexanoic acid;bromide;iodide
CID 10506632
5-[4-[10,15,20-tris[1-(4-carboxybutyl)pyridin-1-ium-4-yl]-21,24-dihydroporphyrin-5-yl]pyridin-1-ium-1-yl]pentanoic acid
CID 10606457
4-(4-fluoropyridin-1-ium-1-yl)butanoic acid bromide
CID 84750816

Frequently Asked Questions

What is the IUPAC name of 6-(5,11-dimethyl-7,8-dihydro-6H-pyrido[4,3-b]carbazol-2-ium-2-yl)hexanoic acid?
The IUPAC name of 6-(5,11-dimethyl-7,8-dihydro-6H-pyrido[4,3-b]carbazol-2-ium-2-yl)hexanoic acid (CID 145050779) is 6-(5,11-dimethyl-7,8-dihydro-6H-pyrido[4,3-b]carbazol-2-ium-2-yl)hexanoic acid.
What is the SMILES notation for 6-(5,11-dimethyl-7,8-dihydro-6H-pyrido[4,3-b]carbazol-2-ium-2-yl)hexanoic acid?
The canonical SMILES for 6-(5,11-dimethyl-7,8-dihydro-6H-pyrido[4,3-b]carbazol-2-ium-2-yl)hexanoic acid is Cc1c2cc[n+](CCCCCC(=O)O)cc2c(C)c2c3c([nH]c12)CCC=C3.
What is the InChIKey of 6-(5,11-dimethyl-7,8-dihydro-6H-pyrido[4,3-b]carbazol-2-ium-2-yl)hexanoic acid?
The InChIKey is MAQHGOIXMMFELH-UHFFFAOYSA-O. The full InChI is InChI=1S/C23H26N2O2/c1-15-19-14-25(12-7-3-4-10-21(26)27)13-11-17(19)16(2)23-22(15)18-8-5-6-9-20(18)24-23/h5,8,11,13-14H,3-4,6-7,9-10,12H2,1-2H3,(H,26,27)/p+1.
What are the key properties of 6-(5,11-dimethyl-7,8-dihydro-6H-pyrido[4,3-b]carbazol-2-ium-2-yl)hexanoic acid?
6-(5,11-dimethyl-7,8-dihydro-6H-pyrido[4,3-b]carbazol-2-ium-2-yl)hexanoic acid has a molecular weight of 363.48 g/mol, XLogP of 4.83, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5,11-dimethyl-7,8-dihydro-6H-pyrido[4,3-b]carbazol-2-ium-2-yl)hexanoic acid is sourced from PubChem (CID 145050779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).