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

C21H24ClN3 — CID 142759453

IUPAC6-chloro-1,2,3-trimethyl-5-(2-pyridin-2-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole
SMILESCC1Cc2c(c3cccc(Cl)c3n2CCc2ccccn2)C(C)N1C
InChIInChI=1S/C21H24ClN3/c1-14-13-19-20(15(2)24(14)3)17-8-6-9-18(22)21(17)25(19)12-10-16-7-4-5-11-23-16/h4-9,11,14-15H,10,12-13H2,1-3H3
InChIKeyIKUQKVRIDDLHCY-UHFFFAOYSA-N
MW353.90 g/mol
LogP4.87
Rot. Bonds3

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

6-chloro-1,2,3-trimethyl-5-(2-pyridin-2-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole (PubChem CID 142759453) has the molecular formula C21H24ClN3 and a molecular weight of 353.90 g/mol. Its IUPAC name is 6-chloro-1,2,3-trimethyl-5-(2-pyridin-2-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole.

Molecular Properties

Compound Name6-chloro-1,2,3-trimethyl-5-(2-pyridin-2-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole
PubChem CID142759453
Molecular FormulaC21H24ClN3
Molecular Weight353.90 g/mol
Exact Mass353.17
IUPAC Name6-chloro-1,2,3-trimethyl-5-(2-pyridin-2-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole
SMILESCC1Cc2c(c3cccc(Cl)c3n2CCc2ccccn2)C(C)N1C
InChIInChI=1S/C21H24ClN3/c1-14-13-19-20(15(2)24(14)3)17-8-6-9-18(22)21(17)25(19)12-10-16-7-4-5-11-23-16/h4-9,11,14-15H,10,12-13H2,1-3H3
InChIKeyIKUQKVRIDDLHCY-UHFFFAOYSA-N
XLogP4.87
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.90
LogP ≤ 54.87
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-1,2,3-trimethyl-5-(2-pyridin-2-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

Frequently Asked Questions

What is the IUPAC name of 6-chloro-1,2,3-trimethyl-5-(2-pyridin-2-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole?
The IUPAC name of 6-chloro-1,2,3-trimethyl-5-(2-pyridin-2-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole (CID 142759453) is 6-chloro-1,2,3-trimethyl-5-(2-pyridin-2-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole.
What is the SMILES notation for 6-chloro-1,2,3-trimethyl-5-(2-pyridin-2-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole?
The canonical SMILES for 6-chloro-1,2,3-trimethyl-5-(2-pyridin-2-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole is CC1Cc2c(c3cccc(Cl)c3n2CCc2ccccn2)C(C)N1C.
What is the InChIKey of 6-chloro-1,2,3-trimethyl-5-(2-pyridin-2-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole?
The InChIKey is IKUQKVRIDDLHCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN3/c1-14-13-19-20(15(2)24(14)3)17-8-6-9-18(22)21(17)25(19)12-10-16-7-4-5-11-23-16/h4-9,11,14-15H,10,12-13H2,1-3H3.
What are the key properties of 6-chloro-1,2,3-trimethyl-5-(2-pyridin-2-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole?
6-chloro-1,2,3-trimethyl-5-(2-pyridin-2-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole has a molecular weight of 353.90 g/mol, XLogP of 4.87, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1,2,3-trimethyl-5-(2-pyridin-2-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole is sourced from PubChem (CID 142759453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).