1,2,3,8-tetramethyl-5-[2-(4-methylphenyl)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole

C24H30N2 — CID 142759440

About 1,2,3,8-tetramethyl-5-[2-(4-methylphenyl)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole

1,2,3,8-tetramethyl-5-[2-(4-methylphenyl)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole (PubChem CID 142759440) has the molecular formula C24H30N2 and a molecular weight of 346.52 g/mol. Its IUPAC name is 1,2,3,8-tetramethyl-5-[2-(4-methylphenyl)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole.

Molecular Properties

• Compound Name: 1,2,3,8-tetramethyl-5-[2-(4-methylphenyl)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole
• PubChem CID: 142759440
• Molecular Formula: C24H30N2
• Molecular Weight: 346.52 g/mol
• Exact Mass: 346.24
• IUPAC Name: 1,2,3,8-tetramethyl-5-[2-(4-methylphenyl)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole
• SMILES: Cc1ccc(CCn2c3c(c4cc(C)ccc42)C(C)N(C)C(C)C3)cc1
• InChI: InChI=1S/C24H30N2/c1-16-6-9-20(10-7-16)12-13-26-22-11-8-17(2)14-21(22)24-19(4)25(5)18(3)15-23(24)26/h6-11,14,18-19H,12-13,15H2,1-5H3
• InChIKey: JKPLKWCDPXGNMN-UHFFFAOYSA-N
• XLogP: 5.44
• TPSA: 8.17 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	346.52
LogP ≤ 5	5.44
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1,2,3,8-tetramethyl-5-[2-(4-methylphenyl)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole?

The IUPAC name of 1,2,3,8-tetramethyl-5-[2-(4-methylphenyl)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole (CID 142759440) is 1,2,3,8-tetramethyl-5-[2-(4-methylphenyl)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole.

What is the SMILES notation for 1,2,3,8-tetramethyl-5-[2-(4-methylphenyl)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole?

The canonical SMILES for 1,2,3,8-tetramethyl-5-[2-(4-methylphenyl)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole is Cc1ccc(CCn2c3c(c4cc(C)ccc42)C(C)N(C)C(C)C3)cc1.

What is the InChIKey of 1,2,3,8-tetramethyl-5-[2-(4-methylphenyl)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole?

The InChIKey is JKPLKWCDPXGNMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2/c1-16-6-9-20(10-7-16)12-13-26-22-11-8-17(2)14-21(22)24-19(4)25(5)18(3)15-23(24)26/h6-11,14,18-19H,12-13,15H2,1-5H3.

What are the key properties of 1,2,3,8-tetramethyl-5-[2-(4-methylphenyl)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole?

1,2,3,8-tetramethyl-5-[2-(4-methylphenyl)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole has a molecular weight of 346.52 g/mol, XLogP of 5.44, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 1,2,3,8-tetramethyl-5-[2-(4-methylphenyl)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole is sourced from PubChem (CID 142759440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).