2,5,11-trimethyl-6H-pyrido[4,3-b]carbazol-2-ium-9-ol chloride

C18H17ClN2O — CID 86153740

IUPAC2,5,11-trimethyl-6H-pyrido[4,3-b]carbazol-2-ium-9-ol chloride
SMILESCc1c2cc[n+](C)cc2c(C)c2c1[nH]c1ccc(O)cc12.[Cl-]
InChIInChI=1S/C18H16N2O.ClH/c1-10-15-9-20(3)7-6-13(15)11(2)18-17(10)14-8-12(21)4-5-16(14)19-18;/h4-9,21H,1-3H3;1H
InChIKeySSWBQSGYNLPPMG-UHFFFAOYSA-N
MW312.80 g/mol
LogP0.63
Rot. Bonds

About 2,5,11-trimethyl-6H-pyrido[4,3-b]carbazol-2-ium-9-ol chloride

2,5,11-trimethyl-6H-pyrido[4,3-b]carbazol-2-ium-9-ol chloride (PubChem CID 86153740) has the molecular formula C18H17ClN2O and a molecular weight of 312.80 g/mol. Its IUPAC name is 2,5,11-trimethyl-6H-pyrido[4,3-b]carbazol-2-ium-9-ol chloride.

Molecular Properties

Compound Name2,5,11-trimethyl-6H-pyrido[4,3-b]carbazol-2-ium-9-ol chloride
PubChem CID86153740
Molecular FormulaC18H17ClN2O
Molecular Weight312.80 g/mol
Exact Mass312.10
IUPAC Name2,5,11-trimethyl-6H-pyrido[4,3-b]carbazol-2-ium-9-ol chloride
SMILESCc1c2cc[n+](C)cc2c(C)c2c1[nH]c1ccc(O)cc12.[Cl-]
InChIInChI=1S/C18H16N2O.ClH/c1-10-15-9-20(3)7-6-13(15)11(2)18-17(10)14-8-12(21)4-5-16(14)19-18;/h4-9,21H,1-3H3;1H
InChIKeySSWBQSGYNLPPMG-UHFFFAOYSA-N
XLogP0.63
TPSA39.90 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.80
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,5,11-trimethyl-6H-pyrido[4,3-b]carbazol-2-ium-9-ol chloride?
The IUPAC name of 2,5,11-trimethyl-6H-pyrido[4,3-b]carbazol-2-ium-9-ol chloride (CID 86153740) is 2,5,11-trimethyl-6H-pyrido[4,3-b]carbazol-2-ium-9-ol chloride.
What is the SMILES notation for 2,5,11-trimethyl-6H-pyrido[4,3-b]carbazol-2-ium-9-ol chloride?
The canonical SMILES for 2,5,11-trimethyl-6H-pyrido[4,3-b]carbazol-2-ium-9-ol chloride is Cc1c2cc[n+](C)cc2c(C)c2c1[nH]c1ccc(O)cc12.[Cl-].
What is the InChIKey of 2,5,11-trimethyl-6H-pyrido[4,3-b]carbazol-2-ium-9-ol chloride?
The InChIKey is SSWBQSGYNLPPMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O.ClH/c1-10-15-9-20(3)7-6-13(15)11(2)18-17(10)14-8-12(21)4-5-16(14)19-18;/h4-9,21H,1-3H3;1H.
What are the key properties of 2,5,11-trimethyl-6H-pyrido[4,3-b]carbazol-2-ium-9-ol chloride?
2,5,11-trimethyl-6H-pyrido[4,3-b]carbazol-2-ium-9-ol chloride has a molecular weight of 312.80 g/mol, XLogP of 0.63, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,11-trimethyl-6H-pyrido[4,3-b]carbazol-2-ium-9-ol chloride is sourced from PubChem (CID 86153740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).