10-methoxy-7-methyl-2-(2-piperidin-1-ylethyl)pyrido[4,3-c]carbazol-2-ium chloride

C24H28ClN3O — CID 15921305

IUPAC10-methoxy-7-methyl-2-(2-piperidin-1-ylethyl)pyrido[4,3-c]carbazol-2-ium chloride
SMILESCOc1ccc2c(c1)c1c3c[n+](CCN4CCCCC4)ccc3ccc1n2C.[Cl-]
InChIInChI=1S/C24H28N3O.ClH/c1-25-22-9-7-19(28-2)16-20(22)24-21-17-27(13-10-18(21)6-8-23(24)25)15-14-26-11-4-3-5-12-26;/h6-10,13,16-17H,3-5,11-12,14-15H2,1-2H3;1H/q+1;/p-1
InChIKeyIFCNKRKQWOKDGF-UHFFFAOYSA-M
MW409.96 g/mol
LogP1.27
Rot. Bonds4

About 10-methoxy-7-methyl-2-(2-piperidin-1-ylethyl)pyrido[4,3-c]carbazol-2-ium chloride

10-methoxy-7-methyl-2-(2-piperidin-1-ylethyl)pyrido[4,3-c]carbazol-2-ium chloride (PubChem CID 15921305) has the molecular formula C24H28ClN3O and a molecular weight of 409.96 g/mol. Its IUPAC name is 10-methoxy-7-methyl-2-(2-piperidin-1-ylethyl)pyrido[4,3-c]carbazol-2-ium chloride.

Molecular Properties

Compound Name10-methoxy-7-methyl-2-(2-piperidin-1-ylethyl)pyrido[4,3-c]carbazol-2-ium chloride
PubChem CID15921305
Molecular FormulaC24H28ClN3O
Molecular Weight409.96 g/mol
Exact Mass409.19
IUPAC Name10-methoxy-7-methyl-2-(2-piperidin-1-ylethyl)pyrido[4,3-c]carbazol-2-ium chloride
SMILESCOc1ccc2c(c1)c1c3c[n+](CCN4CCCCC4)ccc3ccc1n2C.[Cl-]
InChIInChI=1S/C24H28N3O.ClH/c1-25-22-9-7-19(28-2)16-20(22)24-21-17-27(13-10-18(21)6-8-23(24)25)15-14-26-11-4-3-5-12-26;/h6-10,13,16-17H,3-5,11-12,14-15H2,1-2H3;1H/q+1;/p-1
InChIKeyIFCNKRKQWOKDGF-UHFFFAOYSA-M
XLogP1.27
TPSA21.28 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.96
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Coralyne chloride
CID 23306
9-Methoxy-5,11-Dimethyl-6H-Pyrido(4,3-B)Carbazole
CID 72512
9-Hydroxy-2,5,11-trimethyl-6H-pyrido(4,3-b)carbazolium
CID 42723
Retelliptine
CID 68913
9-Methoxy-2-methylellipticinium acetate
CID 362973
Ditercalinium Chloride
CID 71541
Datelliptium Chloride
CID 72034
6H-Pyrido(4,3-b)carbazole, 1-((3-(4-aminopropyl-1-piperazinyl)propyl)amino)-9-methoxy-5-methyl-
CID 135608
1,3-Propanediamine, N,N-diethyl-N'-(9-methoxy-5-methyl-6H-pyrido(4,3-b)carbazol-1-yl)-
CID 149478
6H-Pyrido(4,3-b)carbazole, 5,11-dimethyl-1-((3-(dimethylamino)propyl)amino)-9-methoxy-, ethanol
CID 153726
Metralindole monohydrochloride
CID 171296
1-Benzyl-6-methoxy-4-methylquinolinium chloride
CID 2834440

Frequently Asked Questions

What is the IUPAC name of 10-methoxy-7-methyl-2-(2-piperidin-1-ylethyl)pyrido[4,3-c]carbazol-2-ium chloride?
The IUPAC name of 10-methoxy-7-methyl-2-(2-piperidin-1-ylethyl)pyrido[4,3-c]carbazol-2-ium chloride (CID 15921305) is 10-methoxy-7-methyl-2-(2-piperidin-1-ylethyl)pyrido[4,3-c]carbazol-2-ium chloride.
What is the SMILES notation for 10-methoxy-7-methyl-2-(2-piperidin-1-ylethyl)pyrido[4,3-c]carbazol-2-ium chloride?
The canonical SMILES for 10-methoxy-7-methyl-2-(2-piperidin-1-ylethyl)pyrido[4,3-c]carbazol-2-ium chloride is COc1ccc2c(c1)c1c3c[n+](CCN4CCCCC4)ccc3ccc1n2C.[Cl-].
What is the InChIKey of 10-methoxy-7-methyl-2-(2-piperidin-1-ylethyl)pyrido[4,3-c]carbazol-2-ium chloride?
The InChIKey is IFCNKRKQWOKDGF-UHFFFAOYSA-M. The full InChI is InChI=1S/C24H28N3O.ClH/c1-25-22-9-7-19(28-2)16-20(22)24-21-17-27(13-10-18(21)6-8-23(24)25)15-14-26-11-4-3-5-12-26;/h6-10,13,16-17H,3-5,11-12,14-15H2,1-2H3;1H/q+1;/p-1.
What are the key properties of 10-methoxy-7-methyl-2-(2-piperidin-1-ylethyl)pyrido[4,3-c]carbazol-2-ium chloride?
10-methoxy-7-methyl-2-(2-piperidin-1-ylethyl)pyrido[4,3-c]carbazol-2-ium chloride has a molecular weight of 409.96 g/mol, XLogP of 1.27, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methoxy-7-methyl-2-(2-piperidin-1-ylethyl)pyrido[4,3-c]carbazol-2-ium chloride is sourced from PubChem (CID 15921305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).