8-methoxy-3-methyl-4,6a,6b,10a,11,11a-hexahydropyrido[4,3-a]carbazole;hydroiodide

C17H21IN2O — CID 138396852

IUPAC8-methoxy-3-methyl-4,6a,6b,10a,11,11a-hexahydropyrido[4,3-a]carbazole;hydroiodide
SMILESCOC1=CC2C(C=C1)NC1C3=C(C=CC12)CN(C)C=C3.I
InChIInChI=1S/C17H20N2O.HI/c1-19-8-7-13-11(10-19)3-5-14-15-9-12(20-2)4-6-16(15)18-17(13)14;/h3-9,14-18H,10H2,1-2H3;1H
InChIKeyUTYDSNGKAXCODN-UHFFFAOYSA-N
MW396.27 g/mol
LogP2.60
Rot. Bonds1

About 8-methoxy-3-methyl-4,6a,6b,10a,11,11a-hexahydropyrido[4,3-a]carbazole;hydroiodide

8-methoxy-3-methyl-4,6a,6b,10a,11,11a-hexahydropyrido[4,3-a]carbazole;hydroiodide (PubChem CID 138396852) has the molecular formula C17H21IN2O and a molecular weight of 396.27 g/mol. Its IUPAC name is 8-methoxy-3-methyl-4,6a,6b,10a,11,11a-hexahydropyrido[4,3-a]carbazole;hydroiodide.

Molecular Properties

Compound Name8-methoxy-3-methyl-4,6a,6b,10a,11,11a-hexahydropyrido[4,3-a]carbazole;hydroiodide
PubChem CID138396852
Molecular FormulaC17H21IN2O
Molecular Weight396.27 g/mol
Exact Mass396.07
IUPAC Name8-methoxy-3-methyl-4,6a,6b,10a,11,11a-hexahydropyrido[4,3-a]carbazole;hydroiodide
SMILESCOC1=CC2C(C=C1)NC1C3=C(C=CC12)CN(C)C=C3.I
InChIInChI=1S/C17H20N2O.HI/c1-19-8-7-13-11(10-19)3-5-14-15-9-12(20-2)4-6-16(15)18-17(13)14;/h3-9,14-18H,10H2,1-2H3;1H
InChIKeyUTYDSNGKAXCODN-UHFFFAOYSA-N
XLogP2.60
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.27
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 8-methoxy-3-methyl-4,6a,6b,10a,11,11a-hexahydropyrido[4,3-a]carbazole;hydroiodide with MolForge

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Related Compounds

2-(17-Methoxy-1-azatetracyclo[11.5.0.02,7.07,12]octadeca-2,9,11,13,15,17-hexaen-15-yl)ethanamine
CID 52947282
3-Methyl-11H-pyrido(4,3-a)carbazolium iodide
CID 149177
8-Methoxy-3-methyl-11H-pyrido(4,3-a)carbazolium iodide
CID 149179
10-Methoxy-2,7-dimethyl-7H-pyrido(4,3-c)carbazolium iodide
CID 151704
10-Hydroxy-2-methyl-7H-pyrido(4,3-c)carbazolium iodide
CID 151707
10-methoxy-2-methyl-7H-pyrido(4,3-c)carbazolium acetate
CID 153380
10-Methoxy-2,7-dimethyl-7H-pyrido(4,3-c)carbazolium acetate
CID 153381
2-(2-Hydroxyethyl)-10-methoxy-7H-pyrido(4,3-c)carbazolium iodide
CID 153656
7H-Pyrido(4,3-c)carbazolium, 10-methoxy-2-(2-(1-piperidinyl)ethyl)-, chloride
CID 153658
10-Methoxy-7-methyl-2-(2-(1-piperidinyl)ethyl)-7H-pyrido(4,3-c)carbazolium chloride
CID 153662
2-(5-methoxy-3a,7a-dihydro-1H-indol-3-yl)ethanamine
CID 59686728
3-[3-(6-Methoxy-1,8a-dihydroquinolin-4-yl)-2-methylpropyl]-4-methylhex-5-en-1-amine
CID 143394968

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-3-methyl-4,6a,6b,10a,11,11a-hexahydropyrido[4,3-a]carbazole;hydroiodide?
The IUPAC name of 8-methoxy-3-methyl-4,6a,6b,10a,11,11a-hexahydropyrido[4,3-a]carbazole;hydroiodide (CID 138396852) is 8-methoxy-3-methyl-4,6a,6b,10a,11,11a-hexahydropyrido[4,3-a]carbazole;hydroiodide.
What is the SMILES notation for 8-methoxy-3-methyl-4,6a,6b,10a,11,11a-hexahydropyrido[4,3-a]carbazole;hydroiodide?
The canonical SMILES for 8-methoxy-3-methyl-4,6a,6b,10a,11,11a-hexahydropyrido[4,3-a]carbazole;hydroiodide is COC1=CC2C(C=C1)NC1C3=C(C=CC12)CN(C)C=C3.I.
What is the InChIKey of 8-methoxy-3-methyl-4,6a,6b,10a,11,11a-hexahydropyrido[4,3-a]carbazole;hydroiodide?
The InChIKey is UTYDSNGKAXCODN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O.HI/c1-19-8-7-13-11(10-19)3-5-14-15-9-12(20-2)4-6-16(15)18-17(13)14;/h3-9,14-18H,10H2,1-2H3;1H.
What are the key properties of 8-methoxy-3-methyl-4,6a,6b,10a,11,11a-hexahydropyrido[4,3-a]carbazole;hydroiodide?
8-methoxy-3-methyl-4,6a,6b,10a,11,11a-hexahydropyrido[4,3-a]carbazole;hydroiodide has a molecular weight of 396.27 g/mol, XLogP of 2.60, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-3-methyl-4,6a,6b,10a,11,11a-hexahydropyrido[4,3-a]carbazole;hydroiodide is sourced from PubChem (CID 138396852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).