6-methoxy-1-(4-methylcyclohex-3-en-1-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole chloride

C19H24ClN2O- — CID 53350754

IUPAC6-methoxy-1-(4-methylcyclohex-3-en-1-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole chloride
SMILESCOc1ccc2[nH]c3c(c2c1)CCNC3C1CC=C(C)CC1.[Cl-]
InChIInChI=1S/C19H24N2O.ClH/c1-12-3-5-13(6-4-12)18-19-15(9-10-20-18)16-11-14(22-2)7-8-17(16)21-19;/h3,7-8,11,13,18,20-21H,4-6,9-10H2,1-2H3;1H/p-1
InChIKeyLHCQQHIUVDSFTA-UHFFFAOYSA-M
MW331.87 g/mol
LogP1.11
Rot. Bonds2

About 6-methoxy-1-(4-methylcyclohex-3-en-1-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole chloride

6-methoxy-1-(4-methylcyclohex-3-en-1-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole chloride (PubChem CID 53350754) has the molecular formula C19H24ClN2O- and a molecular weight of 331.87 g/mol. Its IUPAC name is 6-methoxy-1-(4-methylcyclohex-3-en-1-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole chloride.

Molecular Properties

Compound Name6-methoxy-1-(4-methylcyclohex-3-en-1-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole chloride
PubChem CID53350754
Molecular FormulaC19H24ClN2O-
Molecular Weight331.87 g/mol
Exact Mass331.16
IUPAC Name6-methoxy-1-(4-methylcyclohex-3-en-1-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole chloride
SMILESCOc1ccc2[nH]c3c(c2c1)CCNC3C1CC=C(C)CC1.[Cl-]
InChIInChI=1S/C19H24N2O.ClH/c1-12-3-5-13(6-4-12)18-19-15(9-10-20-18)16-11-14(22-2)7-8-17(16)21-19;/h3,7-8,11,13,18,20-21H,4-6,9-10H2,1-2H3;1H/p-1
InChIKeyLHCQQHIUVDSFTA-UHFFFAOYSA-M
XLogP1.11
TPSA37.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.87
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 6-methoxy-1-(4-methylcyclohex-3-en-1-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole chloride with MolForge

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Related Compounds

(1S)-6-methoxy-1-[(1R,6S)-3,4,6-trimethylcyclohex-3-en-1-yl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
CID 904685
6-methoxy-1-(4-methoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
CID 3337812
6-methoxy-1-(2,4,5-trimethoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
CID 3481169
(1S)-1-(3,4-dimethoxyphenyl)-6-methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
CID 7048356
1-cyclobutyl-6-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
CID 141010505
1-(2-chloro-4-methoxyphenyl)-6-methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
CID 3986399
7-methoxy-3-nitroso-1,2,3,4-tetrahydrocyclopenta[b]indole
CID 54166241
1-(2-iodophenyl)-6-methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
CID 5129142
acetic acid;6-methoxy-1-(4-methoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
CID 52993556
2-[(1S)-6-methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl]acetic acid
CID 7038452
1-(2,4-dichlorophenyl)-6-methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
CID 4596586
1-(2,5-dibromophenyl)-6-methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
CID 4260691

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-1-(4-methylcyclohex-3-en-1-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole chloride?
The IUPAC name of 6-methoxy-1-(4-methylcyclohex-3-en-1-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole chloride (CID 53350754) is 6-methoxy-1-(4-methylcyclohex-3-en-1-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole chloride.
What is the SMILES notation for 6-methoxy-1-(4-methylcyclohex-3-en-1-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole chloride?
The canonical SMILES for 6-methoxy-1-(4-methylcyclohex-3-en-1-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole chloride is COc1ccc2[nH]c3c(c2c1)CCNC3C1CC=C(C)CC1.[Cl-].
What is the InChIKey of 6-methoxy-1-(4-methylcyclohex-3-en-1-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole chloride?
The InChIKey is LHCQQHIUVDSFTA-UHFFFAOYSA-M. The full InChI is InChI=1S/C19H24N2O.ClH/c1-12-3-5-13(6-4-12)18-19-15(9-10-20-18)16-11-14(22-2)7-8-17(16)21-19;/h3,7-8,11,13,18,20-21H,4-6,9-10H2,1-2H3;1H/p-1.
What are the key properties of 6-methoxy-1-(4-methylcyclohex-3-en-1-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole chloride?
6-methoxy-1-(4-methylcyclohex-3-en-1-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole chloride has a molecular weight of 331.87 g/mol, XLogP of 1.11, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-1-(4-methylcyclohex-3-en-1-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole chloride is sourced from PubChem (CID 53350754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).