6-chloro-4,9-dimethyl-1,2,3,4-tetrahydropyrido[3,4-b]indole

C13H15ClN2 — CID 84741078

IUPAC6-chloro-4,9-dimethyl-1,2,3,4-tetrahydropyrido[3,4-b]indole
SMILESCC1CNCc2c1c1cc(Cl)ccc1n2C
InChIInChI=1S/C13H15ClN2/c1-8-6-15-7-12-13(8)10-5-9(14)3-4-11(10)16(12)2/h3-5,8,15H,6-7H2,1-2H3
InChIKeyTVESPPXMINIFKF-UHFFFAOYSA-N
MW234.73 g/mol
LogP3.04
Rot. Bonds

About 6-chloro-4,9-dimethyl-1,2,3,4-tetrahydropyrido[3,4-b]indole

6-chloro-4,9-dimethyl-1,2,3,4-tetrahydropyrido[3,4-b]indole (PubChem CID 84741078) has the molecular formula C13H15ClN2 and a molecular weight of 234.73 g/mol. Its IUPAC name is 6-chloro-4,9-dimethyl-1,2,3,4-tetrahydropyrido[3,4-b]indole.

Molecular Properties

Compound Name6-chloro-4,9-dimethyl-1,2,3,4-tetrahydropyrido[3,4-b]indole
PubChem CID84741078
Molecular FormulaC13H15ClN2
Molecular Weight234.73 g/mol
Exact Mass234.09
IUPAC Name6-chloro-4,9-dimethyl-1,2,3,4-tetrahydropyrido[3,4-b]indole
SMILESCC1CNCc2c1c1cc(Cl)ccc1n2C
InChIInChI=1S/C13H15ClN2/c1-8-6-15-7-12-13(8)10-5-9(14)3-4-11(10)16(12)2/h3-5,8,15H,6-7H2,1-2H3
InChIKeyTVESPPXMINIFKF-UHFFFAOYSA-N
XLogP3.04
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.73
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

8-chloro-4,9-dimethyl-1,2,3,4-tetrahydropyrido[3,4-b]indole
CID 84741088
N-[2-(9-chloro-1-methyl-2,3,4,5-tetrahydro-1H-azepino[4,5-b]indol-6-yl)-4-fluorophenyl]acetamide
CID 140648280
8-chloro-4-methyl-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole
CID 84740342
5-chloro-1,3-dimethyl-2-pyrrolidin-3-ylindole
CID 84633326
(5-chloro-3-cyclopropyl-1-methylindol-2-yl)methanamine
CID 83918924
4,5,8-trimethyl-1,2,3,4-tetrahydropyrido[4,3-b]indole
CID 84740015
7-chloro-4-methyl-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole
CID 84740349
5-chloro-1,2-dimethyl-3-piperidin-2-ylindole
CID 82666551
3-(5-chloro-1,2-dimethylindol-3-yl)morpholine
CID 82667099
N-[(6-chloro-9-methyl-1,2,3,4-tetrahydrocarbazol-4-yl)methyl]acetamide
CID 10827392
6-chloro-1-methyl-3-pyrrolidin-2-ylquinazoline-2,4-dione
CID 117262573
7-chloro-5-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine
CID 10465263

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4,9-dimethyl-1,2,3,4-tetrahydropyrido[3,4-b]indole?
The IUPAC name of 6-chloro-4,9-dimethyl-1,2,3,4-tetrahydropyrido[3,4-b]indole (CID 84741078) is 6-chloro-4,9-dimethyl-1,2,3,4-tetrahydropyrido[3,4-b]indole.
What is the SMILES notation for 6-chloro-4,9-dimethyl-1,2,3,4-tetrahydropyrido[3,4-b]indole?
The canonical SMILES for 6-chloro-4,9-dimethyl-1,2,3,4-tetrahydropyrido[3,4-b]indole is CC1CNCc2c1c1cc(Cl)ccc1n2C.
What is the InChIKey of 6-chloro-4,9-dimethyl-1,2,3,4-tetrahydropyrido[3,4-b]indole?
The InChIKey is TVESPPXMINIFKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2/c1-8-6-15-7-12-13(8)10-5-9(14)3-4-11(10)16(12)2/h3-5,8,15H,6-7H2,1-2H3.
What are the key properties of 6-chloro-4,9-dimethyl-1,2,3,4-tetrahydropyrido[3,4-b]indole?
6-chloro-4,9-dimethyl-1,2,3,4-tetrahydropyrido[3,4-b]indole has a molecular weight of 234.73 g/mol, XLogP of 3.04, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4,9-dimethyl-1,2,3,4-tetrahydropyrido[3,4-b]indole is sourced from PubChem (CID 84741078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).