6-[3-(2,5-dimethylpyrrolidin-1-yl)propoxy]-7-methoxy-N-methyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine

C23H33N3O2 — CID 155298311

About 6-[3-(2,5-dimethylpyrrolidin-1-yl)propoxy]-7-methoxy-N-methyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine

6-[3-(2,5-dimethylpyrrolidin-1-yl)propoxy]-7-methoxy-N-methyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine (PubChem CID 155298311) has the molecular formula C23H33N3O2 and a molecular weight of 383.54 g/mol. Its IUPAC name is 6-[3-(2,5-dimethylpyrrolidin-1-yl)propoxy]-7-methoxy-N-methyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine.

Molecular Properties

• Compound Name: 6-[3-(2,5-dimethylpyrrolidin-1-yl)propoxy]-7-methoxy-N-methyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine
• PubChem CID: 155298311
• Molecular Formula: C23H33N3O2
• Molecular Weight: 383.54 g/mol
• Exact Mass: 383.26
• IUPAC Name: 6-[3-(2,5-dimethylpyrrolidin-1-yl)propoxy]-7-methoxy-N-methyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine
• SMILES: CNc1c2c(nc3cc(OCCCN4C(C)CCC4C)c(OC)cc13)CCC2
• InChI: InChI=1S/C23H33N3O2/c1-15-9-10-16(2)26(15)11-6-12-28-22-14-20-18(13-21(22)27-4)23(24-3)17-7-5-8-19(17)25-20/h13-16H,5-12H2,1-4H3,(H,24,25)
• InChIKey: OMHDAYWLVPXVFN-UHFFFAOYSA-N
• XLogP: 4.42
• TPSA: 46.62 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	383.54
LogP ≤ 5	4.42
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-[3-(2,5-dimethylpyrrolidin-1-yl)propoxy]-7-methoxy-N-methyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine?

The IUPAC name of 6-[3-(2,5-dimethylpyrrolidin-1-yl)propoxy]-7-methoxy-N-methyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine (CID 155298311) is 6-[3-(2,5-dimethylpyrrolidin-1-yl)propoxy]-7-methoxy-N-methyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine.

What is the SMILES notation for 6-[3-(2,5-dimethylpyrrolidin-1-yl)propoxy]-7-methoxy-N-methyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine?

The canonical SMILES for 6-[3-(2,5-dimethylpyrrolidin-1-yl)propoxy]-7-methoxy-N-methyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine is CNc1c2c(nc3cc(OCCCN4C(C)CCC4C)c(OC)cc13)CCC2.

What is the InChIKey of 6-[3-(2,5-dimethylpyrrolidin-1-yl)propoxy]-7-methoxy-N-methyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine?

The InChIKey is OMHDAYWLVPXVFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N3O2/c1-15-9-10-16(2)26(15)11-6-12-28-22-14-20-18(13-21(22)27-4)23(24-3)17-7-5-8-19(17)25-20/h13-16H,5-12H2,1-4H3,(H,24,25).

What are the key properties of 6-[3-(2,5-dimethylpyrrolidin-1-yl)propoxy]-7-methoxy-N-methyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine?

6-[3-(2,5-dimethylpyrrolidin-1-yl)propoxy]-7-methoxy-N-methyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine has a molecular weight of 383.54 g/mol, XLogP of 4.42, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[3-(2,5-dimethylpyrrolidin-1-yl)propoxy]-7-methoxy-N-methyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine is sourced from PubChem (CID 155298311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).