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

C₂₄H₃₁N₅O₂ — CID 130345942

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

7-methoxy-N-(1-methylpyrazol-3-yl)-6-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine (PubChem CID 130345942) has the molecular formula C₂₄H₃₁N₅O₂ and a molecular weight of 421.55 g/mol. Its IUPAC name is 7-methoxy-N-(1-methylpyrazol-3-yl)-6-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine.

Molecular Properties

• Compound Name: 7-methoxy-N-(1-methylpyrazol-3-yl)-6-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine
• PubChem CID: 130345942
• Molecular Formula: C₂₄H₃₁N₅O₂
• Molecular Weight: 421.55 g/mol
• Exact Mass: 421.25
• IUPAC Name: 7-methoxy-N-(1-methylpyrazol-3-yl)-6-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine
• SMILES: COc1cc2c(Nc3ccn(C)n3)c3c(nc2cc1OCCCN1CCCC1)CCC3
• InChI: InChI=1S/C24H31N5O2/c1-28-13-9-23(27-28)26-24-17-7-5-8-19(17)25-20-16-22(21(30-2)15-18(20)24)31-14-6-12-29-10-3-4-11-29/h9,13,15-16H,3-8,10-12,14H2,1-2H3,(H,25,26,27)
• InChIKey: SUYYAZOFNBSYKY-UHFFFAOYSA-N
• XLogP: 4.07
• TPSA: 64.44 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	421.55
LogP ≤ 5	4.07
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

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-methylpyrazol-3-yl)-6-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine?

The IUPAC name of 7-methoxy-N-(1-methylpyrazol-3-yl)-6-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine (CID 130345942) is 7-methoxy-N-(1-methylpyrazol-3-yl)-6-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine.

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

The canonical SMILES for 7-methoxy-N-(1-methylpyrazol-3-yl)-6-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine is COc1cc2c(Nc3ccn(C)n3)c3c(nc2cc1OCCCN1CCCC1)CCC3.

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

The InChIKey is SUYYAZOFNBSYKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N5O2/c1-28-13-9-23(27-28)26-24-17-7-5-8-19(17)25-20-16-22(21(30-2)15-18(20)24)31-14-6-12-29-10-3-4-11-29/h9,13,15-16H,3-8,10-12,14H2,1-2H3,(H,25,26,27).

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

7-methoxy-N-(1-methylpyrazol-3-yl)-6-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine has a molecular weight of 421.55 g/mol, XLogP of 4.07, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 7-methoxy-N-(1-methylpyrazol-3-yl)-6-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine is sourced from PubChem (CID 130345942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 130345942 — identifiers, structure, computed properties (public domain)

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