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

C26H37N3O — CID 135194635

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

N-[(1R)-1-cyclobutylethyl]-8-methyl-7-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[c]quinolin-4-amine (PubChem CID 135194635) has the molecular formula C26H37N3O and a molecular weight of 407.60 g/mol. Its IUPAC name is N-[(1R)-1-cyclobutylethyl]-8-methyl-7-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[c]quinolin-4-amine.

Molecular Properties

• Compound Name: N-[(1R)-1-cyclobutylethyl]-8-methyl-7-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[c]quinolin-4-amine
• PubChem CID: 135194635
• Molecular Formula: C26H37N3O
• Molecular Weight: 407.60 g/mol
• Exact Mass: 407.29
• IUPAC Name: N-[(1R)-1-cyclobutylethyl]-8-methyl-7-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[c]quinolin-4-amine
• SMILES: Cc1cc2c3c(c(N[C@H](C)C4CCC4)nc2cc1OCCCN1CCCC1)CCC3
• InChI: InChI=1S/C26H37N3O/c1-18-16-23-21-10-6-11-22(21)26(27-19(2)20-8-5-9-20)28-24(23)17-25(18)30-15-7-14-29-12-3-4-13-29/h16-17,19-20H,3-15H2,1-2H3,(H,27,28)/t19-/m1/s1
• InChIKey: ZPOMWVMDTWUWTR-LJQANCHMSA-N
• XLogP: 5.50
• TPSA: 37.39 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	407.60
LogP ≤ 5	5.50
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-cyclobutylethyl]-8-methyl-7-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[c]quinolin-4-amine?

The IUPAC name of N-[(1R)-1-cyclobutylethyl]-8-methyl-7-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[c]quinolin-4-amine (CID 135194635) is N-[(1R)-1-cyclobutylethyl]-8-methyl-7-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[c]quinolin-4-amine.

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

The canonical SMILES for N-[(1R)-1-cyclobutylethyl]-8-methyl-7-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[c]quinolin-4-amine is Cc1cc2c3c(c(N[C@H](C)C4CCC4)nc2cc1OCCCN1CCCC1)CCC3.

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

The InChIKey is ZPOMWVMDTWUWTR-LJQANCHMSA-N. The full InChI is InChI=1S/C26H37N3O/c1-18-16-23-21-10-6-11-22(21)26(27-19(2)20-8-5-9-20)28-24(23)17-25(18)30-15-7-14-29-12-3-4-13-29/h16-17,19-20H,3-15H2,1-2H3,(H,27,28)/t19-/m1/s1.

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

N-[(1R)-1-cyclobutylethyl]-8-methyl-7-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[c]quinolin-4-amine has a molecular weight of 407.60 g/mol, XLogP of 5.50, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1R)-1-cyclobutylethyl]-8-methyl-7-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[c]quinolin-4-amine is sourced from PubChem (CID 135194635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).