2-ethyl-6-fluoro-3-methyl-5-(3-phenylpropyl)-3,4-dihydro-1H-pyrido[4,3-b]indole

C23H27FN2 — CID 142759617

About 2-ethyl-6-fluoro-3-methyl-5-(3-phenylpropyl)-3,4-dihydro-1H-pyrido[4,3-b]indole

2-ethyl-6-fluoro-3-methyl-5-(3-phenylpropyl)-3,4-dihydro-1H-pyrido[4,3-b]indole (PubChem CID 142759617) has the molecular formula C23H27FN2 and a molecular weight of 350.48 g/mol. Its IUPAC name is 2-ethyl-6-fluoro-3-methyl-5-(3-phenylpropyl)-3,4-dihydro-1H-pyrido[4,3-b]indole.

Molecular Properties

• Compound Name: 2-ethyl-6-fluoro-3-methyl-5-(3-phenylpropyl)-3,4-dihydro-1H-pyrido[4,3-b]indole
• PubChem CID: 142759617
• Molecular Formula: C23H27FN2
• Molecular Weight: 350.48 g/mol
• Exact Mass: 350.22
• IUPAC Name: 2-ethyl-6-fluoro-3-methyl-5-(3-phenylpropyl)-3,4-dihydro-1H-pyrido[4,3-b]indole
• SMILES: CCN1Cc2c(n(CCCc3ccccc3)c3c(F)cccc23)CC1C
• InChI: InChI=1S/C23H27FN2/c1-3-25-16-20-19-12-7-13-21(24)23(19)26(22(20)15-17(25)2)14-8-11-18-9-5-4-6-10-18/h4-7,9-10,12-13,17H,3,8,11,14-16H2,1-2H3
• InChIKey: ZAJPXCZIJXBBPT-UHFFFAOYSA-N
• XLogP: 5.18
• TPSA: 8.17 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	350.48
LogP ≤ 5	5.18
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 2-ethyl-6-fluoro-3-methyl-5-(3-phenylpropyl)-3,4-dihydro-1H-pyrido[4,3-b]indole?

The IUPAC name of 2-ethyl-6-fluoro-3-methyl-5-(3-phenylpropyl)-3,4-dihydro-1H-pyrido[4,3-b]indole (CID 142759617) is 2-ethyl-6-fluoro-3-methyl-5-(3-phenylpropyl)-3,4-dihydro-1H-pyrido[4,3-b]indole.

What is the SMILES notation for 2-ethyl-6-fluoro-3-methyl-5-(3-phenylpropyl)-3,4-dihydro-1H-pyrido[4,3-b]indole?

The canonical SMILES for 2-ethyl-6-fluoro-3-methyl-5-(3-phenylpropyl)-3,4-dihydro-1H-pyrido[4,3-b]indole is CCN1Cc2c(n(CCCc3ccccc3)c3c(F)cccc23)CC1C.

What is the InChIKey of 2-ethyl-6-fluoro-3-methyl-5-(3-phenylpropyl)-3,4-dihydro-1H-pyrido[4,3-b]indole?

The InChIKey is ZAJPXCZIJXBBPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN2/c1-3-25-16-20-19-12-7-13-21(24)23(19)26(22(20)15-17(25)2)14-8-11-18-9-5-4-6-10-18/h4-7,9-10,12-13,17H,3,8,11,14-16H2,1-2H3.

What are the key properties of 2-ethyl-6-fluoro-3-methyl-5-(3-phenylpropyl)-3,4-dihydro-1H-pyrido[4,3-b]indole?

2-ethyl-6-fluoro-3-methyl-5-(3-phenylpropyl)-3,4-dihydro-1H-pyrido[4,3-b]indole has a molecular weight of 350.48 g/mol, XLogP of 5.18, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2-ethyl-6-fluoro-3-methyl-5-(3-phenylpropyl)-3,4-dihydro-1H-pyrido[4,3-b]indole is sourced from PubChem (CID 142759617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).