methyl 11-methyl-2-[2-[2-(methylcarbamoylamino)ethoxy]ethyl]-6H-pyrido[4,3-b]carbazol-2-ium-5-carboxylate

C24H27N4O4+ — CID 134139601

IUPACmethyl 11-methyl-2-[2-[2-(methylcarbamoylamino)ethoxy]ethyl]-6H-pyrido[4,3-b]carbazol-2-ium-5-carboxylate
SMILESCNC(=O)NCCOCC[n+]1ccc2c(C(=O)OC)c3[nH]c4ccccc4c3c(C)c2c1
InChIInChI=1S/C24H26N4O4/c1-15-18-14-28(11-13-32-12-9-26-24(30)25-2)10-8-16(18)21(23(29)31-3)22-20(15)17-6-4-5-7-19(17)27-22/h4-8,10,14H,9,11-13H2,1-3H3,(H2,25,26,30)/p+1
InChIKeyXPCUWXPMOSNYDK-UHFFFAOYSA-O
MW435.50 g/mol
LogP2.80
Rot. Bonds7

About methyl 11-methyl-2-[2-[2-(methylcarbamoylamino)ethoxy]ethyl]-6H-pyrido[4,3-b]carbazol-2-ium-5-carboxylate

methyl 11-methyl-2-[2-[2-(methylcarbamoylamino)ethoxy]ethyl]-6H-pyrido[4,3-b]carbazol-2-ium-5-carboxylate (PubChem CID 134139601) has the molecular formula C24H27N4O4+ and a molecular weight of 435.50 g/mol. Its IUPAC name is methyl 11-methyl-2-[2-[2-(methylcarbamoylamino)ethoxy]ethyl]-6H-pyrido[4,3-b]carbazol-2-ium-5-carboxylate.

Molecular Properties

Compound Namemethyl 11-methyl-2-[2-[2-(methylcarbamoylamino)ethoxy]ethyl]-6H-pyrido[4,3-b]carbazol-2-ium-5-carboxylate
PubChem CID134139601
Molecular FormulaC24H27N4O4+
Molecular Weight435.50 g/mol
Exact Mass435.20
IUPAC Namemethyl 11-methyl-2-[2-[2-(methylcarbamoylamino)ethoxy]ethyl]-6H-pyrido[4,3-b]carbazol-2-ium-5-carboxylate
SMILESCNC(=O)NCCOCC[n+]1ccc2c(C(=O)OC)c3[nH]c4ccccc4c3c(C)c2c1
InChIInChI=1S/C24H26N4O4/c1-15-18-14-28(11-13-32-12-9-26-24(30)25-2)10-8-16(18)21(23(29)31-3)22-20(15)17-6-4-5-7-19(17)27-22/h4-8,10,14H,9,11-13H2,1-3H3,(H2,25,26,30)/p+1
InChIKeyXPCUWXPMOSNYDK-UHFFFAOYSA-O
XLogP2.80
TPSA96.33 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.50
LogP ≤ 52.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methyl 11-methyl-2-[2-[2-(methylcarbamoylamino)ethoxy]ethyl]-6H-pyrido[4,3-b]carbazol-2-ium-5-carboxylate with MolForge

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Related Compounds

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
2,11-dimethyl-N-[2-(methylcarbamoylamino)ethyl]-6H-pyrido[4,3-b]carbazol-2-ium-5-carboxamide chloride
CID 134152658
N-[2-(2-aminoethoxy)ethyl]-2,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium-5-carboxamide
CID 134149656
2-[2-(5,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium-2-yl)ethoxy]ethanamine
CID 90682276
(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
N-(3-aminopropyl)-2,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium-5-carboxamide chloride
CID 134156652
5,11-dimethyl-2-propyl-6H-pyrido[4,3-b]carbazol-2-ium;hydrobromide
CID 158096242
2-(5-azidopentyl)-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium
CID 121242027
dimethyl 4-methyl-9H-carbazole-1,3-dicarboxylate
CID 132503759
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
5,11-dimethyl-N-[2-(methylcarbamoylamino)ethyl]-1,6-dihydropyrido[4,3-b]carbazole-2-carboxamide
CID 12000778

Frequently Asked Questions

What is the IUPAC name of methyl 11-methyl-2-[2-[2-(methylcarbamoylamino)ethoxy]ethyl]-6H-pyrido[4,3-b]carbazol-2-ium-5-carboxylate?
The IUPAC name of methyl 11-methyl-2-[2-[2-(methylcarbamoylamino)ethoxy]ethyl]-6H-pyrido[4,3-b]carbazol-2-ium-5-carboxylate (CID 134139601) is methyl 11-methyl-2-[2-[2-(methylcarbamoylamino)ethoxy]ethyl]-6H-pyrido[4,3-b]carbazol-2-ium-5-carboxylate.
What is the SMILES notation for methyl 11-methyl-2-[2-[2-(methylcarbamoylamino)ethoxy]ethyl]-6H-pyrido[4,3-b]carbazol-2-ium-5-carboxylate?
The canonical SMILES for methyl 11-methyl-2-[2-[2-(methylcarbamoylamino)ethoxy]ethyl]-6H-pyrido[4,3-b]carbazol-2-ium-5-carboxylate is CNC(=O)NCCOCC[n+]1ccc2c(C(=O)OC)c3[nH]c4ccccc4c3c(C)c2c1.
What is the InChIKey of methyl 11-methyl-2-[2-[2-(methylcarbamoylamino)ethoxy]ethyl]-6H-pyrido[4,3-b]carbazol-2-ium-5-carboxylate?
The InChIKey is XPCUWXPMOSNYDK-UHFFFAOYSA-O. The full InChI is InChI=1S/C24H26N4O4/c1-15-18-14-28(11-13-32-12-9-26-24(30)25-2)10-8-16(18)21(23(29)31-3)22-20(15)17-6-4-5-7-19(17)27-22/h4-8,10,14H,9,11-13H2,1-3H3,(H2,25,26,30)/p+1.
What are the key properties of methyl 11-methyl-2-[2-[2-(methylcarbamoylamino)ethoxy]ethyl]-6H-pyrido[4,3-b]carbazol-2-ium-5-carboxylate?
methyl 11-methyl-2-[2-[2-(methylcarbamoylamino)ethoxy]ethyl]-6H-pyrido[4,3-b]carbazol-2-ium-5-carboxylate has a molecular weight of 435.50 g/mol, XLogP of 2.80, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 11-methyl-2-[2-[2-(methylcarbamoylamino)ethoxy]ethyl]-6H-pyrido[4,3-b]carbazol-2-ium-5-carboxylate is sourced from PubChem (CID 134139601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).