6-chloro-2,3-dimethyl-5-(2-pyridin-3-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole

C20H22ClN3 — CID 142759040

IUPAC6-chloro-2,3-dimethyl-5-(2-pyridin-3-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole
SMILESCC1Cc2c(c3cccc(Cl)c3n2CCc2cccnc2)CN1C
InChIInChI=1S/C20H22ClN3/c1-14-11-19-17(13-23(14)2)16-6-3-7-18(21)20(16)24(19)10-8-15-5-4-9-22-12-15/h3-7,9,12,14H,8,10-11,13H2,1-2H3
InChIKeyVYFLGFCEBWUCNV-UHFFFAOYSA-N
MW339.87 g/mol
LogP4.31
Rot. Bonds3

About 6-chloro-2,3-dimethyl-5-(2-pyridin-3-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole

6-chloro-2,3-dimethyl-5-(2-pyridin-3-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole (PubChem CID 142759040) has the molecular formula C20H22ClN3 and a molecular weight of 339.87 g/mol. Its IUPAC name is 6-chloro-2,3-dimethyl-5-(2-pyridin-3-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole.

Molecular Properties

Compound Name6-chloro-2,3-dimethyl-5-(2-pyridin-3-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole
PubChem CID142759040
Molecular FormulaC20H22ClN3
Molecular Weight339.87 g/mol
Exact Mass339.15
IUPAC Name6-chloro-2,3-dimethyl-5-(2-pyridin-3-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole
SMILESCC1Cc2c(c3cccc(Cl)c3n2CCc2cccnc2)CN1C
InChIInChI=1S/C20H22ClN3/c1-14-11-19-17(13-23(14)2)16-6-3-7-18(21)20(16)24(19)10-8-15-5-4-9-22-12-15/h3-7,9,12,14H,8,10-11,13H2,1-2H3
InChIKeyVYFLGFCEBWUCNV-UHFFFAOYSA-N
XLogP4.31
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.87
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-chloro-2,3-dimethyl-5-(2-pyridin-3-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-chloro-5-[2-(3-fluorophenyl)ethyl]-2,3-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole
CID 142759282
6,8-difluoro-2,3-dimethyl-5-(2-phenylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole
CID 51029739
2-ethyl-6-fluoro-3,9-dimethyl-5-(2-pyridin-3-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole
CID 142759390
5-[2-(4-chlorophenyl)ethyl]-2-ethyl-3,6-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole
CID 142759318
7-chloro-2-(1-chloroethyl)-1-(2-pyridin-3-ylethyl)benzimidazole
CID 60914806
7-chloro-2-(2-chloroethyl)-1-(2-pyridin-3-ylethyl)benzimidazole
CID 60914985
16-methyl-9-(2-pyridin-3-ylethyl)-9,16-diazatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3,5,7-tetraene
CID 142759372
1,2,3,8-tetramethyl-5-(2-pyridin-3-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole
CID 142759333
2-ethyl-3,6-dimethyl-5-[2-(4-methylphenyl)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole
CID 142759480
3-(2-pyrrolidin-1-ylethyl)pyridine
CID 23273673
4-chloro-2-(1-chloroethyl)-1-(2-pyridin-3-ylethyl)benzimidazole
CID 104837724
2-benzyl-3-methyl-5-(3-phenylpropyl)-3,4-dihydro-1H-pyrido[4,3-b]indole
CID 142759302

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2,3-dimethyl-5-(2-pyridin-3-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole?
The IUPAC name of 6-chloro-2,3-dimethyl-5-(2-pyridin-3-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole (CID 142759040) is 6-chloro-2,3-dimethyl-5-(2-pyridin-3-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole.
What is the SMILES notation for 6-chloro-2,3-dimethyl-5-(2-pyridin-3-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole?
The canonical SMILES for 6-chloro-2,3-dimethyl-5-(2-pyridin-3-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole is CC1Cc2c(c3cccc(Cl)c3n2CCc2cccnc2)CN1C.
What is the InChIKey of 6-chloro-2,3-dimethyl-5-(2-pyridin-3-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole?
The InChIKey is VYFLGFCEBWUCNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3/c1-14-11-19-17(13-23(14)2)16-6-3-7-18(21)20(16)24(19)10-8-15-5-4-9-22-12-15/h3-7,9,12,14H,8,10-11,13H2,1-2H3.
What are the key properties of 6-chloro-2,3-dimethyl-5-(2-pyridin-3-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole?
6-chloro-2,3-dimethyl-5-(2-pyridin-3-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole has a molecular weight of 339.87 g/mol, XLogP of 4.31, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2,3-dimethyl-5-(2-pyridin-3-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole is sourced from PubChem (CID 142759040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).