7-methoxy-N-[(1-methylcyclobutyl)methyl]-6-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine

C26H37N3O2 — CID 137478936

About 7-methoxy-N-[(1-methylcyclobutyl)methyl]-6-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine

7-methoxy-N-[(1-methylcyclobutyl)methyl]-6-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine (PubChem CID 137478936) has the molecular formula C26H37N3O2 and a molecular weight of 423.60 g/mol. Its IUPAC name is 7-methoxy-N-[(1-methylcyclobutyl)methyl]-6-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine.

Molecular Properties

• Compound Name: 7-methoxy-N-[(1-methylcyclobutyl)methyl]-6-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine
• PubChem CID: 137478936
• Molecular Formula: C26H37N3O2
• Molecular Weight: 423.60 g/mol
• Exact Mass: 423.29
• IUPAC Name: 7-methoxy-N-[(1-methylcyclobutyl)methyl]-6-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine
• SMILES: COc1cc2c(NCC3(C)CCC3)c3c(nc2cc1OCCCN1CCCC1)CCC3
• InChI: InChI=1S/C26H37N3O2/c1-26(10-6-11-26)18-27-25-19-8-5-9-21(19)28-22-17-24(23(30-2)16-20(22)25)31-15-7-14-29-12-3-4-13-29/h16-17H,3-15,18H2,1-2H3,(H,27,28)
• InChIKey: NBHFIKZHHXQPBN-UHFFFAOYSA-N
• XLogP: 5.20
• TPSA: 46.62 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• 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 7-methoxy-N-[(1-methylcyclobutyl)methyl]-6-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine?

The IUPAC name of 7-methoxy-N-[(1-methylcyclobutyl)methyl]-6-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine (CID 137478936) is 7-methoxy-N-[(1-methylcyclobutyl)methyl]-6-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine.

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

The canonical SMILES for 7-methoxy-N-[(1-methylcyclobutyl)methyl]-6-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine is COc1cc2c(NCC3(C)CCC3)c3c(nc2cc1OCCCN1CCCC1)CCC3.

What is the InChIKey of 7-methoxy-N-[(1-methylcyclobutyl)methyl]-6-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine?

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

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

7-methoxy-N-[(1-methylcyclobutyl)methyl]-6-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine has a molecular weight of 423.60 g/mol, XLogP of 5.20, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 7-methoxy-N-[(1-methylcyclobutyl)methyl]-6-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine is sourced from PubChem (CID 137478936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).