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

C12H15ClN2 — CID 19807228

IUPAC6-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;hydrochloride
SMILESCc1ccc2[nH]c3c(c2c1)CCNC3.Cl
InChIInChI=1S/C12H14N2.ClH/c1-8-2-3-11-10(6-8)9-4-5-13-7-12(9)14-11;/h2-3,6,13-14H,4-5,7H2,1H3;1H
InChIKeyYNBAQZJWTPDKMV-UHFFFAOYSA-N
MW222.72 g/mol
LogP2.54
Rot. Bonds

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

6-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;hydrochloride (PubChem CID 19807228) has the molecular formula C12H15ClN2 and a molecular weight of 222.72 g/mol. Its IUPAC name is 6-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;hydrochloride.

Molecular Properties

Compound Name6-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;hydrochloride
PubChem CID19807228
Molecular FormulaC12H15ClN2
Molecular Weight222.72 g/mol
Exact Mass222.09
IUPAC Name6-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;hydrochloride
SMILESCc1ccc2[nH]c3c(c2c1)CCNC3.Cl
InChIInChI=1S/C12H14N2.ClH/c1-8-2-3-11-10(6-8)9-4-5-13-7-12(9)14-11;/h2-3,6,13-14H,4-5,7H2,1H3;1H
InChIKeyYNBAQZJWTPDKMV-UHFFFAOYSA-N
XLogP2.54
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.72
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

6-tert-butyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
CID 59436669
ethane;8-methyl-2,3,4,5,6,11-hexahydro-1H-azocino[4,5-b]indole
CID 142960260
7-methyl-1,2,3,4-tetrahydrocyclopenta[b]indole
CID 4770206
2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-6-carboxylic acid
CID 83886993
ethane;2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
CID 158166358
9-(2,4-dimethylphenyl)-1,2,3,4,5,6-hexahydroazepino[4,5-b]indole
CID 23528976
3,6-dimethyl-9H-carbazole
CID 144942624
6-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-1-carboxylic acid
CID 17389654
8-chloro-6-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
CID 19418954
1,6-dimethyl-2,3,4,9-tetrahydropyrido[3,4-b]indole-1-carboxylic acid
CID 154199556
6-methyl-3-propan-2-yl-2,3,4,9-tetrahydro-1H-carbazole
CID 65335228
methane;2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole-8-carboxylic acid
CID 143296449

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;hydrochloride?
The IUPAC name of 6-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;hydrochloride (CID 19807228) is 6-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;hydrochloride.
What is the SMILES notation for 6-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;hydrochloride?
The canonical SMILES for 6-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;hydrochloride is Cc1ccc2[nH]c3c(c2c1)CCNC3.Cl.
What is the InChIKey of 6-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;hydrochloride?
The InChIKey is YNBAQZJWTPDKMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2.ClH/c1-8-2-3-11-10(6-8)9-4-5-13-7-12(9)14-11;/h2-3,6,13-14H,4-5,7H2,1H3;1H.
What are the key properties of 6-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;hydrochloride?
6-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;hydrochloride has a molecular weight of 222.72 g/mol, XLogP of 2.54, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;hydrochloride is sourced from PubChem (CID 19807228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).