6-chloro-1-cyclohexyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;hydrochloride

C17H22Cl2N2 — CID 162662308

IUPAC6-chloro-1-cyclohexyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;hydrochloride
SMILESCl.Clc1ccc2[nH]c3c(c2c1)CCNC3C1CCCCC1
InChIInChI=1S/C17H21ClN2.ClH/c18-12-6-7-15-14(10-12)13-8-9-19-16(17(13)20-15)11-4-2-1-3-5-11;/h6-7,10-11,16,19-20H,1-5,8-9H2;1H
InChIKeyRMQCBJXVMBNWMI-UHFFFAOYSA-N
MW325.28 g/mol
LogP5.01
Rot. Bonds1

About 6-chloro-1-cyclohexyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;hydrochloride

6-chloro-1-cyclohexyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;hydrochloride (PubChem CID 162662308) has the molecular formula C17H22Cl2N2 and a molecular weight of 325.28 g/mol. Its IUPAC name is 6-chloro-1-cyclohexyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;hydrochloride.

Molecular Properties

Compound Name6-chloro-1-cyclohexyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;hydrochloride
PubChem CID162662308
Molecular FormulaC17H22Cl2N2
Molecular Weight325.28 g/mol
Exact Mass324.12
IUPAC Name6-chloro-1-cyclohexyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;hydrochloride
SMILESCl.Clc1ccc2[nH]c3c(c2c1)CCNC3C1CCCCC1
InChIInChI=1S/C17H21ClN2.ClH/c18-12-6-7-15-14(10-12)13-8-9-19-16(17(13)20-15)11-4-2-1-3-5-11;/h6-7,10-11,16,19-20H,1-5,8-9H2;1H
InChIKeyRMQCBJXVMBNWMI-UHFFFAOYSA-N
XLogP5.01
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.28
LogP ≤ 55.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 6-chloro-1-cyclohexyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;hydrochloride with MolForge

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Related Compounds

1-cyclobutyl-6-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
CID 141010505
7-chloro-1-cyclohexyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride
CID 67537734
4-(6-chloro-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)phenol;hydrochloride
CID 162645384
1-cyclobutyl-7-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
CID 141010496
6-chloro-1-(3,5-dimethylphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
CID 3915383
6-chloro-1-(2-fluorophenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
CID 3549735
6-chloro-1-(1-ethylcyclobutyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
CID 142648097
4-[(1S)-6-chloro-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl]benzene-1,2-diol
CID 92727171
(1R)-6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxylate
CID 7074070
1-(6-chloro-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)cyclobutane-1-carboxamide
CID 18317945
6-chloro-1-nitroso-2,3,4,9-tetrahydro-1H-carbazole
CID 90770100
6-chloro-1-[2-(trifluoromethyl)phenyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
CID 3677568

Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-cyclohexyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;hydrochloride?
The IUPAC name of 6-chloro-1-cyclohexyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;hydrochloride (CID 162662308) is 6-chloro-1-cyclohexyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;hydrochloride.
What is the SMILES notation for 6-chloro-1-cyclohexyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;hydrochloride?
The canonical SMILES for 6-chloro-1-cyclohexyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;hydrochloride is Cl.Clc1ccc2[nH]c3c(c2c1)CCNC3C1CCCCC1.
What is the InChIKey of 6-chloro-1-cyclohexyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;hydrochloride?
The InChIKey is RMQCBJXVMBNWMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2.ClH/c18-12-6-7-15-14(10-12)13-8-9-19-16(17(13)20-15)11-4-2-1-3-5-11;/h6-7,10-11,16,19-20H,1-5,8-9H2;1H.
What are the key properties of 6-chloro-1-cyclohexyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;hydrochloride?
6-chloro-1-cyclohexyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;hydrochloride has a molecular weight of 325.28 g/mol, XLogP of 5.01, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-cyclohexyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;hydrochloride is sourced from PubChem (CID 162662308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).