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

C12H15ClN2 — CID 6419924

IUPAC1-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;hydrochloride
SMILESCC1NCCc2c1[nH]c1ccccc21.Cl
InChIInChI=1S/C12H14N2.ClH/c1-8-12-10(6-7-13-8)9-4-2-3-5-11(9)14-12;/h2-5,8,13-14H,6-7H2,1H3;1H
InChIKeyCWQORCGWGWEVEL-UHFFFAOYSA-N
MW222.72 g/mol
LogP2.80
Rot. Bonds

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

1-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;hydrochloride (PubChem CID 6419924) has the molecular formula C12H15ClN2 and a molecular weight of 222.72 g/mol. Its IUPAC name is 1-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;hydrochloride.

Molecular Properties

Compound Name1-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;hydrochloride
PubChem CID6419924
Molecular FormulaC12H15ClN2
Molecular Weight222.72 g/mol
Exact Mass222.09
IUPAC Name1-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;hydrochloride
SMILESCC1NCCc2c1[nH]c1ccccc21.Cl
InChIInChI=1S/C12H14N2.ClH/c1-8-12-10(6-7-13-8)9-4-2-3-5-11(9)14-12;/h2-5,8,13-14H,6-7H2,1H3;1H
InChIKeyCWQORCGWGWEVEL-UHFFFAOYSA-N
XLogP2.80
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 ≤ 52.80
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

(1S)-1-propan-2-yl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
CID 7262088
1-phenyl-2-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)propan-1-one;hydrochloride
CID 11772200
1-ethynyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
CID 14946832
N,N-dimethyl-1-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)methanamine
CID 10014060
2-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)ethanamine;dihydrochloride
CID 132585352
(1R)-1-(4-fluorophenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
CID 6938357
(1S)-1-(2-bromophenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
CID 1134278
1-(1-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-6-yl)ethanone
CID 24844851
ethyl (1S)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-1-carboxylate
CID 92857663
1-(1,2-diphenylethyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
CID 25172395
(1R)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-1-carboxamide
CID 697981
(1R)-1-(4-chlorophenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
CID 770530

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;hydrochloride?
The IUPAC name of 1-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;hydrochloride (CID 6419924) is 1-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;hydrochloride.
What is the SMILES notation for 1-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;hydrochloride?
The canonical SMILES for 1-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;hydrochloride is CC1NCCc2c1[nH]c1ccccc21.Cl.
What is the InChIKey of 1-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;hydrochloride?
The InChIKey is CWQORCGWGWEVEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2.ClH/c1-8-12-10(6-7-13-8)9-4-2-3-5-11(9)14-12;/h2-5,8,13-14H,6-7H2,1H3;1H.
What are the key properties of 1-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;hydrochloride?
1-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;hydrochloride has a molecular weight of 222.72 g/mol, XLogP of 2.80, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;hydrochloride is sourced from PubChem (CID 6419924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).