6-fluoro-2,3,9-trimethyl-5-[2-(3-methylphenyl)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole

C23H27FN2 — CID 142759530

About 6-fluoro-2,3,9-trimethyl-5-[2-(3-methylphenyl)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole

6-fluoro-2,3,9-trimethyl-5-[2-(3-methylphenyl)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole (PubChem CID 142759530) has the molecular formula C23H27FN2 and a molecular weight of 350.48 g/mol. Its IUPAC name is 6-fluoro-2,3,9-trimethyl-5-[2-(3-methylphenyl)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole.

Molecular Properties

• Compound Name: 6-fluoro-2,3,9-trimethyl-5-[2-(3-methylphenyl)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole
• PubChem CID: 142759530
• Molecular Formula: C23H27FN2
• Molecular Weight: 350.48 g/mol
• Exact Mass: 350.22
• IUPAC Name: 6-fluoro-2,3,9-trimethyl-5-[2-(3-methylphenyl)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole
• SMILES: Cc1cccc(CCn2c3c(c4c(C)ccc(F)c42)CN(C)C(C)C3)c1
• InChI: InChI=1S/C23H27FN2/c1-15-6-5-7-18(12-15)10-11-26-21-13-17(3)25(4)14-19(21)22-16(2)8-9-20(24)23(22)26/h5-9,12,17H,10-11,13-14H2,1-4H3
• InChIKey: ZPUUSPDQTBWRKX-UHFFFAOYSA-N
• XLogP: 5.02
• 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	350.48
LogP ≤ 5	5.02
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2,3,9-trimethyl-5-[2-(3-methylphenyl)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole?

The IUPAC name of 6-fluoro-2,3,9-trimethyl-5-[2-(3-methylphenyl)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole (CID 142759530) is 6-fluoro-2,3,9-trimethyl-5-[2-(3-methylphenyl)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole.

What is the SMILES notation for 6-fluoro-2,3,9-trimethyl-5-[2-(3-methylphenyl)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole?

The canonical SMILES for 6-fluoro-2,3,9-trimethyl-5-[2-(3-methylphenyl)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole is Cc1cccc(CCn2c3c(c4c(C)ccc(F)c42)CN(C)C(C)C3)c1.

What is the InChIKey of 6-fluoro-2,3,9-trimethyl-5-[2-(3-methylphenyl)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole?

The InChIKey is ZPUUSPDQTBWRKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN2/c1-15-6-5-7-18(12-15)10-11-26-21-13-17(3)25(4)14-19(21)22-16(2)8-9-20(24)23(22)26/h5-9,12,17H,10-11,13-14H2,1-4H3.

What are the key properties of 6-fluoro-2,3,9-trimethyl-5-[2-(3-methylphenyl)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole?

6-fluoro-2,3,9-trimethyl-5-[2-(3-methylphenyl)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole has a molecular weight of 350.48 g/mol, XLogP of 5.02, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 6-fluoro-2,3,9-trimethyl-5-[2-(3-methylphenyl)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole is sourced from PubChem (CID 142759530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).