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

C19H19IN2O — CID 3086380

IUPAC9-methoxy-2,5,11-trimethyl-6H-pyrido[4,3-b]carbazol-2-ium iodide
SMILESCOc1ccc2[nH]c3c(C)c4cc[n+](C)cc4c(C)c3c2c1.[I-]
InChIInChI=1S/C19H18N2O.HI/c1-11-16-10-21(3)8-7-14(16)12(2)19-18(11)15-9-13(22-4)5-6-17(15)20-19;/h5-10H,1-4H3;1H
InChIKeyUMHIZUSDRRRZIC-UHFFFAOYSA-N
MW418.28 g/mol
LogP0.93
Rot. Bonds1

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

9-methoxy-2,5,11-trimethyl-6H-pyrido[4,3-b]carbazol-2-ium iodide (PubChem CID 3086380) has the molecular formula C19H19IN2O and a molecular weight of 418.28 g/mol. Its IUPAC name is 9-methoxy-2,5,11-trimethyl-6H-pyrido[4,3-b]carbazol-2-ium iodide.

Molecular Properties

Compound Name9-methoxy-2,5,11-trimethyl-6H-pyrido[4,3-b]carbazol-2-ium iodide
PubChem CID3086380
Molecular FormulaC19H19IN2O
Molecular Weight418.28 g/mol
Exact Mass418.05
IUPAC Name9-methoxy-2,5,11-trimethyl-6H-pyrido[4,3-b]carbazol-2-ium iodide
SMILESCOc1ccc2[nH]c3c(C)c4cc[n+](C)cc4c(C)c3c2c1.[I-]
InChIInChI=1S/C19H18N2O.HI/c1-11-16-10-21(3)8-7-14(16)12(2)19-18(11)15-9-13(22-4)5-6-17(15)20-19;/h5-10H,1-4H3;1H
InChIKeyUMHIZUSDRRRZIC-UHFFFAOYSA-N
XLogP0.93
TPSA28.90 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.28
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 1833
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CID 151182
Elliptinium Acetate
CID 42722
5-Methoxy 3-(1,2,3,6-tetrahydro-4-pyridinyl)1H indole
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9-Hydroxyellipticine
CID 91643
Ibogaine hydrochloride
CID 197059
5-Methoxy-N,N-dimethyl-1H-indole-3-methanamine
CID 27965
9-Methoxy-5,11-Dimethyl-6H-Pyrido(4,3-B)Carbazole
CID 72512
5-(Benzyloxy)tryptamine
CID 89576
5-MeO-DALT
CID 50878551

Frequently Asked Questions

What is the IUPAC name of 9-methoxy-2,5,11-trimethyl-6H-pyrido[4,3-b]carbazol-2-ium iodide?
The IUPAC name of 9-methoxy-2,5,11-trimethyl-6H-pyrido[4,3-b]carbazol-2-ium iodide (CID 3086380) is 9-methoxy-2,5,11-trimethyl-6H-pyrido[4,3-b]carbazol-2-ium iodide.
What is the SMILES notation for 9-methoxy-2,5,11-trimethyl-6H-pyrido[4,3-b]carbazol-2-ium iodide?
The canonical SMILES for 9-methoxy-2,5,11-trimethyl-6H-pyrido[4,3-b]carbazol-2-ium iodide is COc1ccc2[nH]c3c(C)c4cc[n+](C)cc4c(C)c3c2c1.[I-].
What is the InChIKey of 9-methoxy-2,5,11-trimethyl-6H-pyrido[4,3-b]carbazol-2-ium iodide?
The InChIKey is UMHIZUSDRRRZIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O.HI/c1-11-16-10-21(3)8-7-14(16)12(2)19-18(11)15-9-13(22-4)5-6-17(15)20-19;/h5-10H,1-4H3;1H.
What are the key properties of 9-methoxy-2,5,11-trimethyl-6H-pyrido[4,3-b]carbazol-2-ium iodide?
9-methoxy-2,5,11-trimethyl-6H-pyrido[4,3-b]carbazol-2-ium iodide has a molecular weight of 418.28 g/mol, XLogP of 0.93, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methoxy-2,5,11-trimethyl-6H-pyrido[4,3-b]carbazol-2-ium iodide is sourced from PubChem (CID 3086380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).