5,11-dimethyl-2-propyl-6H-pyrido[4,3-b]carbazol-2-ium;hydrobromide

C20H22BrN2+ — CID 158096242

IUPAC5,11-dimethyl-2-propyl-6H-pyrido[4,3-b]carbazol-2-ium;hydrobromide
SMILESBr.CCC[n+]1ccc2c(C)c3[nH]c4ccccc4c3c(C)c2c1
InChIInChI=1S/C20H20N2.BrH/c1-4-10-22-11-9-15-14(3)20-19(13(2)17(15)12-22)16-7-5-6-8-18(16)21-20;/h5-9,11-12H,4,10H2,1-3H3;1H/p+1
InChIKeyAWVRCQDJNQTCRM-UHFFFAOYSA-O
MW370.31 g/mol
LogP5.37
Rot. Bonds2

About 5,11-dimethyl-2-propyl-6H-pyrido[4,3-b]carbazol-2-ium;hydrobromide

5,11-dimethyl-2-propyl-6H-pyrido[4,3-b]carbazol-2-ium;hydrobromide (PubChem CID 158096242) has the molecular formula C20H22BrN2+ and a molecular weight of 370.31 g/mol. Its IUPAC name is 5,11-dimethyl-2-propyl-6H-pyrido[4,3-b]carbazol-2-ium;hydrobromide.

Molecular Properties

Compound Name5,11-dimethyl-2-propyl-6H-pyrido[4,3-b]carbazol-2-ium;hydrobromide
PubChem CID158096242
Molecular FormulaC20H22BrN2+
Molecular Weight370.31 g/mol
Exact Mass369.10
IUPAC Name5,11-dimethyl-2-propyl-6H-pyrido[4,3-b]carbazol-2-ium;hydrobromide
SMILESBr.CCC[n+]1ccc2c(C)c3[nH]c4ccccc4c3c(C)c2c1
InChIInChI=1S/C20H20N2.BrH/c1-4-10-22-11-9-15-14(3)20-19(13(2)17(15)12-22)16-7-5-6-8-18(16)21-20;/h5-9,11-12H,4,10H2,1-3H3;1H/p+1
InChIKeyAWVRCQDJNQTCRM-UHFFFAOYSA-O
XLogP5.37
TPSA19.67 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.31
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(5,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium-2-yl)ethoxy]ethanamine
CID 90682276
4-(5,11-dimethyl-10H-pyrido[3,4-b]carbazol-2-ium-2-yl)butanenitrile chloride
CID 70676740
2-benzyl-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium bromide
CID 71683150
2-(5-azidopentyl)-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium
CID 121242027
2,5,11-trimethyl-6H-pyrido[4,3-b]carbazol-2-ium;hydroiodide
CID 161443483
2-propyl-9H-pyrido[3,4-b]indol-2-ium
CID 44725473
(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
(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
methyl 11-methyl-2-[2-[2-(methylcarbamoylamino)ethoxy]ethyl]-6H-pyrido[4,3-b]carbazol-2-ium-5-carboxylate
CID 134139601
azane;5,11-dimethyl-6H-pyrido[4,3-b]carbazole
CID 118981774
2-ethyl-5,11-dimethyl-1,6-dihydropyrido[3,2-b]carbazol-4-one
CID 14916565
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

Frequently Asked Questions

What is the IUPAC name of 5,11-dimethyl-2-propyl-6H-pyrido[4,3-b]carbazol-2-ium;hydrobromide?
The IUPAC name of 5,11-dimethyl-2-propyl-6H-pyrido[4,3-b]carbazol-2-ium;hydrobromide (CID 158096242) is 5,11-dimethyl-2-propyl-6H-pyrido[4,3-b]carbazol-2-ium;hydrobromide.
What is the SMILES notation for 5,11-dimethyl-2-propyl-6H-pyrido[4,3-b]carbazol-2-ium;hydrobromide?
The canonical SMILES for 5,11-dimethyl-2-propyl-6H-pyrido[4,3-b]carbazol-2-ium;hydrobromide is Br.CCC[n+]1ccc2c(C)c3[nH]c4ccccc4c3c(C)c2c1.
What is the InChIKey of 5,11-dimethyl-2-propyl-6H-pyrido[4,3-b]carbazol-2-ium;hydrobromide?
The InChIKey is AWVRCQDJNQTCRM-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H20N2.BrH/c1-4-10-22-11-9-15-14(3)20-19(13(2)17(15)12-22)16-7-5-6-8-18(16)21-20;/h5-9,11-12H,4,10H2,1-3H3;1H/p+1.
What are the key properties of 5,11-dimethyl-2-propyl-6H-pyrido[4,3-b]carbazol-2-ium;hydrobromide?
5,11-dimethyl-2-propyl-6H-pyrido[4,3-b]carbazol-2-ium;hydrobromide has a molecular weight of 370.31 g/mol, XLogP of 5.37, 2 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,11-dimethyl-2-propyl-6H-pyrido[4,3-b]carbazol-2-ium;hydrobromide is sourced from PubChem (CID 158096242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).