8-methoxy-N-methyl-N-phenyl-7-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[c]quinolin-4-amine;2,2,2-trifluoroacetic acid

C29H34F3N3O4 — CID 135185202

About 8-methoxy-N-methyl-N-phenyl-7-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[c]quinolin-4-amine;2,2,2-trifluoroacetic acid

8-methoxy-N-methyl-N-phenyl-7-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[c]quinolin-4-amine;2,2,2-trifluoroacetic acid (PubChem CID 135185202) has the molecular formula C29H34F3N3O4 and a molecular weight of 545.60 g/mol. Its IUPAC name is 8-methoxy-N-methyl-N-phenyl-7-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[c]quinolin-4-amine;2,2,2-trifluoroacetic acid.

Molecular Properties

• Compound Name: 8-methoxy-N-methyl-N-phenyl-7-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[c]quinolin-4-amine;2,2,2-trifluoroacetic acid
• PubChem CID: 135185202
• Molecular Formula: C29H34F3N3O4
• Molecular Weight: 545.60 g/mol
• Exact Mass: 545.25
• IUPAC Name: 8-methoxy-N-methyl-N-phenyl-7-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[c]quinolin-4-amine;2,2,2-trifluoroacetic acid
• SMILES: COc1cc2c3c(c(N(C)c4ccccc4)nc2cc1OCCCN1CCCC1)CCC3.O=C(O)C(F)(F)F
• InChI: InChI=1S/C27H33N3O2.C2HF3O2/c1-29(20-10-4-3-5-11-20)27-22-13-8-12-21(22)23-18-25(31-2)26(19-24(23)28-27)32-17-9-16-30-14-6-7-15-30;3-2(4,5)1(6)7/h3-5,10-11,18-19H,6-9,12-17H2,1-2H3;(H,6,7)
• InChIKey: IEYQHKOOMSPOFA-UHFFFAOYSA-N
• XLogP: 6.00
• TPSA: 75.13 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	545.60
LogP ≤ 5	6.00
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

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-methyl-N-phenyl-7-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[c]quinolin-4-amine;2,2,2-trifluoroacetic acid?

The IUPAC name of 8-methoxy-N-methyl-N-phenyl-7-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[c]quinolin-4-amine;2,2,2-trifluoroacetic acid (CID 135185202) is 8-methoxy-N-methyl-N-phenyl-7-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[c]quinolin-4-amine;2,2,2-trifluoroacetic acid.

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

The canonical SMILES for 8-methoxy-N-methyl-N-phenyl-7-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[c]quinolin-4-amine;2,2,2-trifluoroacetic acid is COc1cc2c3c(c(N(C)c4ccccc4)nc2cc1OCCCN1CCCC1)CCC3.O=C(O)C(F)(F)F.

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

The InChIKey is IEYQHKOOMSPOFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N3O2.C2HF3O2/c1-29(20-10-4-3-5-11-20)27-22-13-8-12-21(22)23-18-25(31-2)26(19-24(23)28-27)32-17-9-16-30-14-6-7-15-30;3-2(4,5)1(6)7/h3-5,10-11,18-19H,6-9,12-17H2,1-2H3;(H,6,7).

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

8-methoxy-N-methyl-N-phenyl-7-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[c]quinolin-4-amine;2,2,2-trifluoroacetic acid has a molecular weight of 545.60 g/mol, XLogP of 6.00, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 8-methoxy-N-methyl-N-phenyl-7-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[c]quinolin-4-amine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 135185202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).