N-[(9-benzylpyrido[3,4-b]indol-1-yl)methyl]-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine;1-(4,4-difluoropiperidin-1-yl)-2-[1-[[pentyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]pyrido[3,4-b]indol-9-yl]ethanone;N-(1-methylpiperidin-4-yl)-2-[1-[[pentyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]pyrido[3,4-b]indol-9-yl]acetamide;N-[[9-[2-(oxan-4-yl)ethyl]pyrido[3,4-b]indol-1-yl]methyl]-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine;2-[1-[[pentyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]pyrido[3,4-b]indol-9-yl]-1-piperidin-1-ylethanone

C166H202F2N24O4 — CID 160961231

About N-[(9-benzylpyrido[3,4-b]indol-1-yl)methyl]-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine;1-(4,4-difluoropiperidin-1-yl)-2-[1-[[pentyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]pyrido[3,4-b]indol-9-yl]ethanone;N-(1-methylpiperidin-4-yl)-2-[1-[[pentyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]pyrido[3,4-b]indol-9-yl]acetamide;N-[[9-[2-(oxan-4-yl)ethyl]pyrido[3,4-b]indol-1-yl]methyl]-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine;2-[1-[[pentyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]pyrido[3,4-b]indol-9-yl]-1-piperidin-1-ylethanone

N-[(9-benzylpyrido[3,4-b]indol-1-yl)methyl]-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine;1-(4,4-difluoropiperidin-1-yl)-2-[1-[[pentyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]pyrido[3,4-b]indol-9-yl]ethanone;N-(1-methylpiperidin-4-yl)-2-[1-[[pentyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]pyrido[3,4-b]indol-9-yl]acetamide;N-[[9-[2-(oxan-4-yl)ethyl]pyrido[3,4-b]indol-1-yl]methyl]-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine;2-[1-[[pentyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]pyrido[3,4-b]indol-9-yl]-1-piperidin-1-ylethanone (PubChem CID 160961231) has the molecular formula C166H202F2N24O4 and a molecular weight of 2635.60 g/mol. Its IUPAC name is N-[(9-benzylpyrido[3,4-b]indol-1-yl)methyl]-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine;1-(4,4-difluoropiperidin-1-yl)-2-[1-[[pentyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]pyrido[3,4-b]indol-9-yl]ethanone;N-(1-methylpiperidin-4-yl)-2-[1-[[pentyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]pyrido[3,4-b]indol-9-yl]acetamide;N-[[9-[2-(oxan-4-yl)ethyl]pyrido[3,4-b]indol-1-yl]methyl]-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine;2-[1-[[pentyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]pyrido[3,4-b]indol-9-yl]-1-piperidin-1-ylethanone.

Molecular Properties

• Compound Name: N-[(9-benzylpyrido[3,4-b]indol-1-yl)methyl]-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine;1-(4,4-difluoropiperidin-1-yl)-2-[1-[[pentyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]pyrido[3,4-b]indol-9-yl]ethanone;N-(1-methylpiperidin-4-yl)-2-[1-[[pentyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]pyrido[3,4-b]indol-9-yl]acetamide;N-[[9-[2-(oxan-4-yl)ethyl]pyrido[3,4-b]indol-1-yl]methyl]-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine;2-[1-[[pentyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]pyrido[3,4-b]indol-9-yl]-1-piperidin-1-ylethanone
• PubChem CID: 160961231
• Molecular Formula: C166H202F2N24O4
• Molecular Weight: 2635.60 g/mol
• Exact Mass: 2633.63
• IUPAC Name: N-[(9-benzylpyrido[3,4-b]indol-1-yl)methyl]-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine;1-(4,4-difluoropiperidin-1-yl)-2-[1-[[pentyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]pyrido[3,4-b]indol-9-yl]ethanone;N-(1-methylpiperidin-4-yl)-2-[1-[[pentyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]pyrido[3,4-b]indol-9-yl]acetamide;N-[[9-[2-(oxan-4-yl)ethyl]pyrido[3,4-b]indol-1-yl]methyl]-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine;2-[1-[[pentyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]pyrido[3,4-b]indol-9-yl]-1-piperidin-1-ylethanone
• SMILES: CCCCCN(Cc1nccc2c3ccccc3n(CC(=O)N3CCC(F)(F)CC3)c12)C1CCCc2cccnc21.CCCCCN(Cc1nccc2c3ccccc3n(CC(=O)N3CCCCC3)c12)C1CCCc2cccnc21.CCCCCN(Cc1nccc2c3ccccc3n(CC(=O)NC3CCN(C)CC3)c12)C1CCCc2cccnc21.CCCCCN(Cc1nccc2c3ccccc3n(CCC3CCOCC3)c12)C1CCCc2cccnc21.CCCCCN(Cc1nccc2c3ccccc3n(Cc3ccccc3)c12)C1CCCc2cccnc21
• InChI: InChI=1S/C34H44N6O.C33H39F2N5O.C33H41N5O.C33H42N4O.C33H36N4/c1-3-4-7-20-39(31-14-8-10-25-11-9-18-36-33(25)31)23-29-34-28(15-19-35-29)27-12-5-6-13-30(27)40(34)24-32(41)37-26-16-21-38(2)22-17-26;1-2-3-6-19-39(29-13-7-9-24-10-8-17-37-31(24)29)22-27-32-26(14-18-36-27)25-11-4-5-12-28(25)40(32)23-30(41)38-20-15-33(34,35)16-21-38;1-2-3-7-22-37(30-16-10-12-25-13-11-18-35-32(25)30)23-28-33-27(17-19-34-28)26-14-5-6-15-29(26)38(33)24-31(39)36-20-8-4-9-21-36;1-2-3-6-20-36(31-13-7-9-26-10-8-18-35-32(26)31)24-29-33-28(14-19-34-29)27-11-4-5-12-30(27)37(33)21-15-25-16-22-38-23-17-25;1-2-3-9-22-36(31-18-10-14-26-15-11-20-35-32(26)31)24-29-33-28(19-21-34-29)27-16-7-8-17-30(27)37(33)23-25-12-5-4-6-13-25/h5-6,9,11-13,15,18-19,26,31H,3-4,7-8,10,14,16-17,20-24H2,1-2H3,(H,37,41);4-5,8,10-12,14,17-18,29H,2-3,6-7,9,13,15-16,19-23H2,1H3;5-6,11,13-15,17-19,30H,2-4,7-10,12,16,20-24H2,1H3;4-5,8,10-12,14,18-19,25,31H,2-3,6-7,9,13,15-17,20-24H2,1H3;4-8,11-13,15-17,19-21,31H,2-3,9-10,14,18,22-24H2,1H3
• InChIKey: SXAPWMUGXYDRMA-UHFFFAOYSA-N
• XLogP: 34.62
• TPSA: 251.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 25
• Rotatable Bonds: 47
• Heavy Atoms: 196
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2635.60
LogP ≤ 5	34.62
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[(9-benzylpyrido[3,4-b]indol-1-yl)methyl]-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine;1-(4,4-difluoropiperidin-1-yl)-2-[1-[[pentyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]pyrido[3,4-b]indol-9-yl]ethanone;N-(1-methylpiperidin-4-yl)-2-[1-[[pentyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]pyrido[3,4-b]indol-9-yl]acetamide;N-[[9-[2-(oxan-4-yl)ethyl]pyrido[3,4-b]indol-1-yl]methyl]-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine;2-[1-[[pentyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]pyrido[3,4-b]indol-9-yl]-1-piperidin-1-ylethanone?

The IUPAC name of N-[(9-benzylpyrido[3,4-b]indol-1-yl)methyl]-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine;1-(4,4-difluoropiperidin-1-yl)-2-[1-[[pentyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]pyrido[3,4-b]indol-9-yl]ethanone;N-(1-methylpiperidin-4-yl)-2-[1-[[pentyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]pyrido[3,4-b]indol-9-yl]acetamide;N-[[9-[2-(oxan-4-yl)ethyl]pyrido[3,4-b]indol-1-yl]methyl]-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine;2-[1-[[pentyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]pyrido[3,4-b]indol-9-yl]-1-piperidin-1-ylethanone (CID 160961231) is N-[(9-benzylpyrido[3,4-b]indol-1-yl)methyl]-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine;1-(4,4-difluoropiperidin-1-yl)-2-[1-[[pentyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]pyrido[3,4-b]indol-9-yl]ethanone;N-(1-methylpiperidin-4-yl)-2-[1-[[pentyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]pyrido[3,4-b]indol-9-yl]acetamide;N-[[9-[2-(oxan-4-yl)ethyl]pyrido[3,4-b]indol-1-yl]methyl]-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine;2-[1-[[pentyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]pyrido[3,4-b]indol-9-yl]-1-piperidin-1-ylethanone.

What is the SMILES notation for N-[(9-benzylpyrido[3,4-b]indol-1-yl)methyl]-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine;1-(4,4-difluoropiperidin-1-yl)-2-[1-[[pentyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]pyrido[3,4-b]indol-9-yl]ethanone;N-(1-methylpiperidin-4-yl)-2-[1-[[pentyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]pyrido[3,4-b]indol-9-yl]acetamide;N-[[9-[2-(oxan-4-yl)ethyl]pyrido[3,4-b]indol-1-yl]methyl]-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine;2-[1-[[pentyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]pyrido[3,4-b]indol-9-yl]-1-piperidin-1-ylethanone?

The canonical SMILES for N-[(9-benzylpyrido[3,4-b]indol-1-yl)methyl]-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine;1-(4,4-difluoropiperidin-1-yl)-2-[1-[[pentyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]pyrido[3,4-b]indol-9-yl]ethanone;N-(1-methylpiperidin-4-yl)-2-[1-[[pentyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]pyrido[3,4-b]indol-9-yl]acetamide;N-[[9-[2-(oxan-4-yl)ethyl]pyrido[3,4-b]indol-1-yl]methyl]-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine;2-[1-[[pentyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]pyrido[3,4-b]indol-9-yl]-1-piperidin-1-ylethanone is CCCCCN(Cc1nccc2c3ccccc3n(CC(=O)N3CCC(F)(F)CC3)c12)C1CCCc2cccnc21.CCCCCN(Cc1nccc2c3ccccc3n(CC(=O)N3CCCCC3)c12)C1CCCc2cccnc21.CCCCCN(Cc1nccc2c3ccccc3n(CC(=O)NC3CCN(C)CC3)c12)C1CCCc2cccnc21.CCCCCN(Cc1nccc2c3ccccc3n(CCC3CCOCC3)c12)C1CCCc2cccnc21.CCCCCN(Cc1nccc2c3ccccc3n(Cc3ccccc3)c12)C1CCCc2cccnc21.

What is the InChIKey of N-[(9-benzylpyrido[3,4-b]indol-1-yl)methyl]-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine;1-(4,4-difluoropiperidin-1-yl)-2-[1-[[pentyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]pyrido[3,4-b]indol-9-yl]ethanone;N-(1-methylpiperidin-4-yl)-2-[1-[[pentyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]pyrido[3,4-b]indol-9-yl]acetamide;N-[[9-[2-(oxan-4-yl)ethyl]pyrido[3,4-b]indol-1-yl]methyl]-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine;2-[1-[[pentyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]pyrido[3,4-b]indol-9-yl]-1-piperidin-1-ylethanone?

The InChIKey is SXAPWMUGXYDRMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H44N6O.C33H39F2N5O.C33H41N5O.C33H42N4O.C33H36N4/c1-3-4-7-20-39(31-14-8-10-25-11-9-18-36-33(25)31)23-29-34-28(15-19-35-29)27-12-5-6-13-30(27)40(34)24-32(41)37-26-16-21-38(2)22-17-26;1-2-3-6-19-39(29-13-7-9-24-10-8-17-37-31(24)29)22-27-32-26(14-18-36-27)25-11-4-5-12-28(25)40(32)23-30(41)38-20-15-33(34,35)16-21-38;1-2-3-7-22-37(30-16-10-12-25-13-11-18-35-32(25)30)23-28-33-27(17-19-34-28)26-14-5-6-15-29(26)38(33)24-31(39)36-20-8-4-9-21-36;1-2-3-6-20-36(31-13-7-9-26-10-8-18-35-32(26)31)24-29-33-28(14-19-34-29)27-11-4-5-12-30(27)37(33)21-15-25-16-22-38-23-17-25;1-2-3-9-22-36(31-18-10-14-26-15-11-20-35-32(26)31)24-29-33-28(19-21-34-29)27-16-7-8-17-30(27)37(33)23-25-12-5-4-6-13-25/h5-6,9,11-13,15,18-19,26,31H,3-4,7-8,10,14,16-17,20-24H2,1-2H3,(H,37,41);4-5,8,10-12,14,17-18,29H,2-3,6-7,9,13,15-16,19-23H2,1H3;5-6,11,13-15,17-19,30H,2-4,7-10,12,16,20-24H2,1H3;4-5,8,10-12,14,18-19,25,31H,2-3,6-7,9,13,15-17,20-24H2,1H3;4-8,11-13,15-17,19-21,31H,2-3,9-10,14,18,22-24H2,1H3.

What are the key properties of N-[(9-benzylpyrido[3,4-b]indol-1-yl)methyl]-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine;1-(4,4-difluoropiperidin-1-yl)-2-[1-[[pentyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]pyrido[3,4-b]indol-9-yl]ethanone;N-(1-methylpiperidin-4-yl)-2-[1-[[pentyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]pyrido[3,4-b]indol-9-yl]acetamide;N-[[9-[2-(oxan-4-yl)ethyl]pyrido[3,4-b]indol-1-yl]methyl]-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine;2-[1-[[pentyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]pyrido[3,4-b]indol-9-yl]-1-piperidin-1-ylethanone?

N-[(9-benzylpyrido[3,4-b]indol-1-yl)methyl]-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine;1-(4,4-difluoropiperidin-1-yl)-2-[1-[[pentyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]pyrido[3,4-b]indol-9-yl]ethanone;N-(1-methylpiperidin-4-yl)-2-[1-[[pentyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]pyrido[3,4-b]indol-9-yl]acetamide;N-[[9-[2-(oxan-4-yl)ethyl]pyrido[3,4-b]indol-1-yl]methyl]-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine;2-[1-[[pentyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]pyrido[3,4-b]indol-9-yl]-1-piperidin-1-ylethanone has a molecular weight of 2635.60 g/mol, XLogP of 34.62, 47 rotatable bonds, 1 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(9-benzylpyrido[3,4-b]indol-1-yl)methyl]-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine;1-(4,4-difluoropiperidin-1-yl)-2-[1-[[pentyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]pyrido[3,4-b]indol-9-yl]ethanone;N-(1-methylpiperidin-4-yl)-2-[1-[[pentyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]pyrido[3,4-b]indol-9-yl]acetamide;N-[[9-[2-(oxan-4-yl)ethyl]pyrido[3,4-b]indol-1-yl]methyl]-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine;2-[1-[[pentyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]pyrido[3,4-b]indol-9-yl]-1-piperidin-1-ylethanone is sourced from PubChem (CID 160961231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).