(8S)-N-[(9-benzylpyrido[3,4-b]indol-1-yl)methyl]-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine;(8S)-N-[[9-(cyclopropylmethyl)pyrido[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-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]pyrido[3,4-b]indol-9-yl]ethanone;(8S)-N-[[9-(2-methoxyethyl)pyrido[3,4-b]indol-1-yl]methyl]-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine;(8S)-N-[[9-[2-(oxan-4-yl)ethyl]pyrido[3,4-b]indol-1-yl]methyl]-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine

C158H189F2N21O3 — CID 159572644

About (8S)-N-[(9-benzylpyrido[3,4-b]indol-1-yl)methyl]-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine;(8S)-N-[[9-(cyclopropylmethyl)pyrido[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-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]pyrido[3,4-b]indol-9-yl]ethanone;(8S)-N-[[9-(2-methoxyethyl)pyrido[3,4-b]indol-1-yl]methyl]-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine;(8S)-N-[[9-[2-(oxan-4-yl)ethyl]pyrido[3,4-b]indol-1-yl]methyl]-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine

(8S)-N-[(9-benzylpyrido[3,4-b]indol-1-yl)methyl]-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine;(8S)-N-[[9-(cyclopropylmethyl)pyrido[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-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]pyrido[3,4-b]indol-9-yl]ethanone;(8S)-N-[[9-(2-methoxyethyl)pyrido[3,4-b]indol-1-yl]methyl]-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine;(8S)-N-[[9-[2-(oxan-4-yl)ethyl]pyrido[3,4-b]indol-1-yl]methyl]-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine (PubChem CID 159572644) has the molecular formula C158H189F2N21O3 and a molecular weight of 2468.39 g/mol. Its IUPAC name is (8S)-N-[(9-benzylpyrido[3,4-b]indol-1-yl)methyl]-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine;(8S)-N-[[9-(cyclopropylmethyl)pyrido[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-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]pyrido[3,4-b]indol-9-yl]ethanone;(8S)-N-[[9-(2-methoxyethyl)pyrido[3,4-b]indol-1-yl]methyl]-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine;(8S)-N-[[9-[2-(oxan-4-yl)ethyl]pyrido[3,4-b]indol-1-yl]methyl]-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine.

Molecular Properties

• Compound Name: (8S)-N-[(9-benzylpyrido[3,4-b]indol-1-yl)methyl]-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine;(8S)-N-[[9-(cyclopropylmethyl)pyrido[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-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]pyrido[3,4-b]indol-9-yl]ethanone;(8S)-N-[[9-(2-methoxyethyl)pyrido[3,4-b]indol-1-yl]methyl]-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine;(8S)-N-[[9-[2-(oxan-4-yl)ethyl]pyrido[3,4-b]indol-1-yl]methyl]-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine
• PubChem CID: 159572644
• Molecular Formula: C158H189F2N21O3
• Molecular Weight: 2468.39 g/mol
• Exact Mass: 2466.53
• IUPAC Name: (8S)-N-[(9-benzylpyrido[3,4-b]indol-1-yl)methyl]-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine;(8S)-N-[[9-(cyclopropylmethyl)pyrido[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-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]pyrido[3,4-b]indol-9-yl]ethanone;(8S)-N-[[9-(2-methoxyethyl)pyrido[3,4-b]indol-1-yl]methyl]-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine;(8S)-N-[[9-[2-(oxan-4-yl)ethyl]pyrido[3,4-b]indol-1-yl]methyl]-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine
• SMILES: CCCCCN(Cc1nccc2c3ccccc3n(CC(=O)N3CCC(F)(F)CC3)c12)[C@H]1CCCc2cccnc21.CCCCCN(Cc1nccc2c3ccccc3n(CC3CC3)c12)[C@H]1CCCc2cccnc21.CCCCCN(Cc1nccc2c3ccccc3n(CCC3CCOCC3)c12)[C@H]1CCCc2cccnc21.CCCCCN(Cc1nccc2c3ccccc3n(CCOC)c12)[C@H]1CCCc2cccnc21.CCCCCN(Cc1nccc2c3ccccc3n(Cc3ccccc3)c12)[C@H]1CCCc2cccnc21
• InChI: InChI=1S/C33H39F2N5O.C33H42N4O.C33H36N4.C30H36N4.C29H36N4O/c1-2-3-6-19-39(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;1-2-3-6-20-36(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;1-2-3-6-19-33(28-13-7-9-23-10-8-17-32-29(23)28)21-26-30-25(16-18-31-26)24-11-4-5-12-27(24)34(30)20-22-14-15-22;1-3-4-7-18-32(27-14-8-10-22-11-9-16-31-28(22)27)21-25-29-24(15-17-30-25)23-12-5-6-13-26(23)33(29)19-20-34-2/h4-5,8,10-12,14,17-18,29H,2-3,6-7,9,13,15-16,19-23H2,1H3;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;4-5,8,10-12,16-18,22,28H,2-3,6-7,9,13-15,19-21H2,1H3;5-6,9,11-13,15-17,27H,3-4,7-8,10,14,18-21H2,1-2H3/t29-;2*31-;28-;27-/m00000/s1
• InChIKey: MHZZGUCCNNUGPI-YNXLDKSRSA-N
• XLogP: 35.45
• TPSA: 208.52 Ų
• H-Bond Acceptors: 23
• Rotatable Bonds: 47
• Heavy Atoms: 184
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2468.39
LogP ≤ 5	35.45
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of (8S)-N-[(9-benzylpyrido[3,4-b]indol-1-yl)methyl]-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine;(8S)-N-[[9-(cyclopropylmethyl)pyrido[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-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]pyrido[3,4-b]indol-9-yl]ethanone;(8S)-N-[[9-(2-methoxyethyl)pyrido[3,4-b]indol-1-yl]methyl]-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine;(8S)-N-[[9-[2-(oxan-4-yl)ethyl]pyrido[3,4-b]indol-1-yl]methyl]-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine (CID 159572644) is (8S)-N-[(9-benzylpyrido[3,4-b]indol-1-yl)methyl]-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine;(8S)-N-[[9-(cyclopropylmethyl)pyrido[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-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]pyrido[3,4-b]indol-9-yl]ethanone;(8S)-N-[[9-(2-methoxyethyl)pyrido[3,4-b]indol-1-yl]methyl]-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine;(8S)-N-[[9-[2-(oxan-4-yl)ethyl]pyrido[3,4-b]indol-1-yl]methyl]-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine.

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

The canonical SMILES for (8S)-N-[(9-benzylpyrido[3,4-b]indol-1-yl)methyl]-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine;(8S)-N-[[9-(cyclopropylmethyl)pyrido[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-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]pyrido[3,4-b]indol-9-yl]ethanone;(8S)-N-[[9-(2-methoxyethyl)pyrido[3,4-b]indol-1-yl]methyl]-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine;(8S)-N-[[9-[2-(oxan-4-yl)ethyl]pyrido[3,4-b]indol-1-yl]methyl]-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine is CCCCCN(Cc1nccc2c3ccccc3n(CC(=O)N3CCC(F)(F)CC3)c12)[C@H]1CCCc2cccnc21.CCCCCN(Cc1nccc2c3ccccc3n(CC3CC3)c12)[C@H]1CCCc2cccnc21.CCCCCN(Cc1nccc2c3ccccc3n(CCC3CCOCC3)c12)[C@H]1CCCc2cccnc21.CCCCCN(Cc1nccc2c3ccccc3n(CCOC)c12)[C@H]1CCCc2cccnc21.CCCCCN(Cc1nccc2c3ccccc3n(Cc3ccccc3)c12)[C@H]1CCCc2cccnc21.

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

The InChIKey is MHZZGUCCNNUGPI-YNXLDKSRSA-N. The full InChI is InChI=1S/C33H39F2N5O.C33H42N4O.C33H36N4.C30H36N4.C29H36N4O/c1-2-3-6-19-39(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;1-2-3-6-20-36(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;1-2-3-6-19-33(28-13-7-9-23-10-8-17-32-29(23)28)21-26-30-25(16-18-31-26)24-11-4-5-12-27(24)34(30)20-22-14-15-22;1-3-4-7-18-32(27-14-8-10-22-11-9-16-31-28(22)27)21-25-29-24(15-17-30-25)23-12-5-6-13-26(23)33(29)19-20-34-2/h4-5,8,10-12,14,17-18,29H,2-3,6-7,9,13,15-16,19-23H2,1H3;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;4-5,8,10-12,16-18,22,28H,2-3,6-7,9,13-15,19-21H2,1H3;5-6,9,11-13,15-17,27H,3-4,7-8,10,14,18-21H2,1-2H3/t29-;2*31-;28-;27-/m00000/s1.

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

(8S)-N-[(9-benzylpyrido[3,4-b]indol-1-yl)methyl]-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine;(8S)-N-[[9-(cyclopropylmethyl)pyrido[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-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]pyrido[3,4-b]indol-9-yl]ethanone;(8S)-N-[[9-(2-methoxyethyl)pyrido[3,4-b]indol-1-yl]methyl]-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine;(8S)-N-[[9-[2-(oxan-4-yl)ethyl]pyrido[3,4-b]indol-1-yl]methyl]-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine has a molecular weight of 2468.39 g/mol, XLogP of 35.45, 47 rotatable bonds, 0 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for (8S)-N-[(9-benzylpyrido[3,4-b]indol-1-yl)methyl]-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine;(8S)-N-[[9-(cyclopropylmethyl)pyrido[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-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]pyrido[3,4-b]indol-9-yl]ethanone;(8S)-N-[[9-(2-methoxyethyl)pyrido[3,4-b]indol-1-yl]methyl]-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine;(8S)-N-[[9-[2-(oxan-4-yl)ethyl]pyrido[3,4-b]indol-1-yl]methyl]-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine is sourced from PubChem (CID 159572644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).