7-chloro-N-(4-piperidin-1-ylbutyl)quinolin-4-amine;7-chloro-N-(10-piperidin-1-yldecyl)quinolin-4-amine;7-chloro-N-(8-piperidin-1-yloctyl)quinolin-4-amine;7-chloro-N-(3-piperidin-1-ylpropyl)quinolin-4-amine

C81H114Cl4N12 — CID 157333995

About 7-chloro-N-(4-piperidin-1-ylbutyl)quinolin-4-amine;7-chloro-N-(10-piperidin-1-yldecyl)quinolin-4-amine;7-chloro-N-(8-piperidin-1-yloctyl)quinolin-4-amine;7-chloro-N-(3-piperidin-1-ylpropyl)quinolin-4-amine

7-chloro-N-(4-piperidin-1-ylbutyl)quinolin-4-amine;7-chloro-N-(10-piperidin-1-yldecyl)quinolin-4-amine;7-chloro-N-(8-piperidin-1-yloctyl)quinolin-4-amine;7-chloro-N-(3-piperidin-1-ylpropyl)quinolin-4-amine (PubChem CID 157333995) has the molecular formula C81H114Cl4N12 and a molecular weight of 1397.70 g/mol. Its IUPAC name is 7-chloro-N-(4-piperidin-1-ylbutyl)quinolin-4-amine;7-chloro-N-(10-piperidin-1-yldecyl)quinolin-4-amine;7-chloro-N-(8-piperidin-1-yloctyl)quinolin-4-amine;7-chloro-N-(3-piperidin-1-ylpropyl)quinolin-4-amine.

Molecular Properties

• Compound Name: 7-chloro-N-(4-piperidin-1-ylbutyl)quinolin-4-amine;7-chloro-N-(10-piperidin-1-yldecyl)quinolin-4-amine;7-chloro-N-(8-piperidin-1-yloctyl)quinolin-4-amine;7-chloro-N-(3-piperidin-1-ylpropyl)quinolin-4-amine
• PubChem CID: 157333995
• Molecular Formula: C81H114Cl4N12
• Molecular Weight: 1397.70 g/mol
• Exact Mass: 1394.80
• IUPAC Name: 7-chloro-N-(4-piperidin-1-ylbutyl)quinolin-4-amine;7-chloro-N-(10-piperidin-1-yldecyl)quinolin-4-amine;7-chloro-N-(8-piperidin-1-yloctyl)quinolin-4-amine;7-chloro-N-(3-piperidin-1-ylpropyl)quinolin-4-amine
• SMILES: Clc1ccc2c(NCCCCCCCCCCN3CCCCC3)ccnc2c1.Clc1ccc2c(NCCCCCCCCN3CCCCC3)ccnc2c1.Clc1ccc2c(NCCCCN3CCCCC3)ccnc2c1.Clc1ccc2c(NCCCN3CCCCC3)ccnc2c1
• InChI: InChI=1S/C24H36ClN3.C22H32ClN3.C18H24ClN3.C17H22ClN3/c25-21-12-13-22-23(14-16-27-24(22)20-21)26-15-8-5-3-1-2-4-6-9-17-28-18-10-7-11-19-28;23-19-10-11-20-21(12-14-25-22(20)18-19)24-13-6-3-1-2-4-7-15-26-16-8-5-9-17-26;19-15-6-7-16-17(8-10-21-18(16)14-15)20-9-2-5-13-22-11-3-1-4-12-22;18-14-5-6-15-16(7-9-20-17(15)13-14)19-8-4-12-21-10-2-1-3-11-21/h12-14,16,20H,1-11,15,17-19H2,(H,26,27);10-12,14,18H,1-9,13,15-17H2,(H,24,25);6-8,10,14H,1-5,9,11-13H2,(H,20,21);5-7,9,13H,1-4,8,10-12H2,(H,19,20)
• InChIKey: BFPSEKRAPXNPBU-UHFFFAOYSA-N
• XLogP: 21.78
• TPSA: 112.64 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 12
• Rotatable Bonds: 33
• Heavy Atoms: 97
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1397.70
LogP ≤ 5	21.78
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-(4-piperidin-1-ylbutyl)quinolin-4-amine;7-chloro-N-(10-piperidin-1-yldecyl)quinolin-4-amine;7-chloro-N-(8-piperidin-1-yloctyl)quinolin-4-amine;7-chloro-N-(3-piperidin-1-ylpropyl)quinolin-4-amine?

The IUPAC name of 7-chloro-N-(4-piperidin-1-ylbutyl)quinolin-4-amine;7-chloro-N-(10-piperidin-1-yldecyl)quinolin-4-amine;7-chloro-N-(8-piperidin-1-yloctyl)quinolin-4-amine;7-chloro-N-(3-piperidin-1-ylpropyl)quinolin-4-amine (CID 157333995) is 7-chloro-N-(4-piperidin-1-ylbutyl)quinolin-4-amine;7-chloro-N-(10-piperidin-1-yldecyl)quinolin-4-amine;7-chloro-N-(8-piperidin-1-yloctyl)quinolin-4-amine;7-chloro-N-(3-piperidin-1-ylpropyl)quinolin-4-amine.

What is the SMILES notation for 7-chloro-N-(4-piperidin-1-ylbutyl)quinolin-4-amine;7-chloro-N-(10-piperidin-1-yldecyl)quinolin-4-amine;7-chloro-N-(8-piperidin-1-yloctyl)quinolin-4-amine;7-chloro-N-(3-piperidin-1-ylpropyl)quinolin-4-amine?

The canonical SMILES for 7-chloro-N-(4-piperidin-1-ylbutyl)quinolin-4-amine;7-chloro-N-(10-piperidin-1-yldecyl)quinolin-4-amine;7-chloro-N-(8-piperidin-1-yloctyl)quinolin-4-amine;7-chloro-N-(3-piperidin-1-ylpropyl)quinolin-4-amine is Clc1ccc2c(NCCCCCCCCCCN3CCCCC3)ccnc2c1.Clc1ccc2c(NCCCCCCCCN3CCCCC3)ccnc2c1.Clc1ccc2c(NCCCCN3CCCCC3)ccnc2c1.Clc1ccc2c(NCCCN3CCCCC3)ccnc2c1.

What is the InChIKey of 7-chloro-N-(4-piperidin-1-ylbutyl)quinolin-4-amine;7-chloro-N-(10-piperidin-1-yldecyl)quinolin-4-amine;7-chloro-N-(8-piperidin-1-yloctyl)quinolin-4-amine;7-chloro-N-(3-piperidin-1-ylpropyl)quinolin-4-amine?

The InChIKey is BFPSEKRAPXNPBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36ClN3.C22H32ClN3.C18H24ClN3.C17H22ClN3/c25-21-12-13-22-23(14-16-27-24(22)20-21)26-15-8-5-3-1-2-4-6-9-17-28-18-10-7-11-19-28;23-19-10-11-20-21(12-14-25-22(20)18-19)24-13-6-3-1-2-4-7-15-26-16-8-5-9-17-26;19-15-6-7-16-17(8-10-21-18(16)14-15)20-9-2-5-13-22-11-3-1-4-12-22;18-14-5-6-15-16(7-9-20-17(15)13-14)19-8-4-12-21-10-2-1-3-11-21/h12-14,16,20H,1-11,15,17-19H2,(H,26,27);10-12,14,18H,1-9,13,15-17H2,(H,24,25);6-8,10,14H,1-5,9,11-13H2,(H,20,21);5-7,9,13H,1-4,8,10-12H2,(H,19,20).

What are the key properties of 7-chloro-N-(4-piperidin-1-ylbutyl)quinolin-4-amine;7-chloro-N-(10-piperidin-1-yldecyl)quinolin-4-amine;7-chloro-N-(8-piperidin-1-yloctyl)quinolin-4-amine;7-chloro-N-(3-piperidin-1-ylpropyl)quinolin-4-amine?

7-chloro-N-(4-piperidin-1-ylbutyl)quinolin-4-amine;7-chloro-N-(10-piperidin-1-yldecyl)quinolin-4-amine;7-chloro-N-(8-piperidin-1-yloctyl)quinolin-4-amine;7-chloro-N-(3-piperidin-1-ylpropyl)quinolin-4-amine has a molecular weight of 1397.70 g/mol, XLogP of 21.78, 33 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 7-chloro-N-(4-piperidin-1-ylbutyl)quinolin-4-amine;7-chloro-N-(10-piperidin-1-yldecyl)quinolin-4-amine;7-chloro-N-(8-piperidin-1-yloctyl)quinolin-4-amine;7-chloro-N-(3-piperidin-1-ylpropyl)quinolin-4-amine is sourced from PubChem (CID 157333995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).