8-methoxy-N-(3-methylcyclopentyl)-7-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[c]quinolin-4-amine

C26H37N3O2 — CID 162054234

About 8-methoxy-N-(3-methylcyclopentyl)-7-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[c]quinolin-4-amine

8-methoxy-N-(3-methylcyclopentyl)-7-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[c]quinolin-4-amine (PubChem CID 162054234) has the molecular formula C26H37N3O2 and a molecular weight of 423.60 g/mol. Its IUPAC name is 8-methoxy-N-(3-methylcyclopentyl)-7-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[c]quinolin-4-amine.

Molecular Properties

• Compound Name: 8-methoxy-N-(3-methylcyclopentyl)-7-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[c]quinolin-4-amine
• PubChem CID: 162054234
• Molecular Formula: C26H37N3O2
• Molecular Weight: 423.60 g/mol
• Exact Mass: 423.29
• IUPAC Name: 8-methoxy-N-(3-methylcyclopentyl)-7-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[c]quinolin-4-amine
• SMILES: COc1cc2c3c(c(NC4CCC(C)C4)nc2cc1OCCCN1CCCC1)CCC3
• InChI: InChI=1S/C26H37N3O2/c1-18-9-10-19(15-18)27-26-21-8-5-7-20(21)22-16-24(30-2)25(17-23(22)28-26)31-14-6-13-29-11-3-4-12-29/h16-19H,3-15H2,1-2H3,(H,27,28)
• InChIKey: YYYPYWATCUIIQU-UHFFFAOYSA-N
• XLogP: 5.20
• TPSA: 46.62 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	423.60
LogP ≤ 5	5.20
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 8-methoxy-N-(3-methylcyclopentyl)-7-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[c]quinolin-4-amine?

The IUPAC name of 8-methoxy-N-(3-methylcyclopentyl)-7-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[c]quinolin-4-amine (CID 162054234) is 8-methoxy-N-(3-methylcyclopentyl)-7-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[c]quinolin-4-amine.

What is the SMILES notation for 8-methoxy-N-(3-methylcyclopentyl)-7-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[c]quinolin-4-amine?

The canonical SMILES for 8-methoxy-N-(3-methylcyclopentyl)-7-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[c]quinolin-4-amine is COc1cc2c3c(c(NC4CCC(C)C4)nc2cc1OCCCN1CCCC1)CCC3.

What is the InChIKey of 8-methoxy-N-(3-methylcyclopentyl)-7-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[c]quinolin-4-amine?

The InChIKey is YYYPYWATCUIIQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37N3O2/c1-18-9-10-19(15-18)27-26-21-8-5-7-20(21)22-16-24(30-2)25(17-23(22)28-26)31-14-6-13-29-11-3-4-12-29/h16-19H,3-15H2,1-2H3,(H,27,28).

What are the key properties of 8-methoxy-N-(3-methylcyclopentyl)-7-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[c]quinolin-4-amine?

8-methoxy-N-(3-methylcyclopentyl)-7-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[c]quinolin-4-amine has a molecular weight of 423.60 g/mol, XLogP of 5.20, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 8-methoxy-N-(3-methylcyclopentyl)-7-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[c]quinolin-4-amine is sourced from PubChem (CID 162054234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).