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

C156H187F2N21O2 — CID 161245536

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

N-[(9-benzylpyrido[3,4-b]indol-1-yl)methyl]-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine;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(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]pyrido[3,4-b]indol-9-yl]ethanone;N-[[9-(2,2-dimethylpropyl)pyrido[3,4-b]indol-1-yl]methyl]-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine;N-[[9-(2-methoxyethyl)pyrido[3,4-b]indol-1-yl]methyl]-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine (PubChem CID 161245536) has the molecular formula C156H187F2N21O2 and a molecular weight of 2426.35 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;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(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]pyrido[3,4-b]indol-9-yl]ethanone;N-[[9-(2,2-dimethylpropyl)pyrido[3,4-b]indol-1-yl]methyl]-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine;N-[[9-(2-methoxyethyl)pyrido[3,4-b]indol-1-yl]methyl]-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine.

Molecular Properties

• Compound Name: N-[(9-benzylpyrido[3,4-b]indol-1-yl)methyl]-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine;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(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]pyrido[3,4-b]indol-9-yl]ethanone;N-[[9-(2,2-dimethylpropyl)pyrido[3,4-b]indol-1-yl]methyl]-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine;N-[[9-(2-methoxyethyl)pyrido[3,4-b]indol-1-yl]methyl]-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine
• PubChem CID: 161245536
• Molecular Formula: C156H187F2N21O2
• Molecular Weight: 2426.35 g/mol
• Exact Mass: 2424.51
• IUPAC Name: N-[(9-benzylpyrido[3,4-b]indol-1-yl)methyl]-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine;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(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]pyrido[3,4-b]indol-9-yl]ethanone;N-[[9-(2,2-dimethylpropyl)pyrido[3,4-b]indol-1-yl]methyl]-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine;N-[[9-(2-methoxyethyl)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)C1CCCc2cccnc21.CCCCCN(Cc1nccc2c3ccccc3n(CC(C)(C)C)c12)C1CCCc2cccnc21.CCCCCN(Cc1nccc2c3ccccc3n(CC3CC3)c12)C1CCCc2cccnc21.CCCCCN(Cc1nccc2c3ccccc3n(CCOC)c12)C1CCCc2cccnc21.CCCCCN(Cc1nccc2c3ccccc3n(Cc3ccccc3)c12)C1CCCc2cccnc21
• InChI: InChI=1S/C33H39F2N5O.C33H36N4.C31H40N4.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;1-2-3-9-22-36(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;1-5-6-9-20-34(28-16-10-12-23-13-11-18-33-29(23)28)21-26-30-25(17-19-32-26)24-14-7-8-15-27(24)35(30)22-31(2,3)4;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;4-8,11-13,15-17,19-21,31H,2-3,9-10,14,18,22-24H2,1H3;7-8,11,13-15,17-19,28H,5-6,9-10,12,16,20-22H2,1-4H3;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
• InChIKey: VAOXKVJYVIETCE-UHFFFAOYSA-N
• XLogP: 35.68
• TPSA: 199.29 Ų
• H-Bond Acceptors: 22
• Rotatable Bonds: 45
• Heavy Atoms: 181
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2426.35
LogP ≤ 5	35.68
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	22

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

The IUPAC name of N-[(9-benzylpyrido[3,4-b]indol-1-yl)methyl]-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine;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(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]pyrido[3,4-b]indol-9-yl]ethanone;N-[[9-(2,2-dimethylpropyl)pyrido[3,4-b]indol-1-yl]methyl]-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine;N-[[9-(2-methoxyethyl)pyrido[3,4-b]indol-1-yl]methyl]-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine (CID 161245536) is N-[(9-benzylpyrido[3,4-b]indol-1-yl)methyl]-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine;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(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]pyrido[3,4-b]indol-9-yl]ethanone;N-[[9-(2,2-dimethylpropyl)pyrido[3,4-b]indol-1-yl]methyl]-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine;N-[[9-(2-methoxyethyl)pyrido[3,4-b]indol-1-yl]methyl]-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine.

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

The canonical SMILES for N-[(9-benzylpyrido[3,4-b]indol-1-yl)methyl]-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine;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(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]pyrido[3,4-b]indol-9-yl]ethanone;N-[[9-(2,2-dimethylpropyl)pyrido[3,4-b]indol-1-yl]methyl]-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine;N-[[9-(2-methoxyethyl)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)C1CCCc2cccnc21.CCCCCN(Cc1nccc2c3ccccc3n(CC(C)(C)C)c12)C1CCCc2cccnc21.CCCCCN(Cc1nccc2c3ccccc3n(CC3CC3)c12)C1CCCc2cccnc21.CCCCCN(Cc1nccc2c3ccccc3n(CCOC)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;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(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]pyrido[3,4-b]indol-9-yl]ethanone;N-[[9-(2,2-dimethylpropyl)pyrido[3,4-b]indol-1-yl]methyl]-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine;N-[[9-(2-methoxyethyl)pyrido[3,4-b]indol-1-yl]methyl]-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine?

The InChIKey is VAOXKVJYVIETCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H39F2N5O.C33H36N4.C31H40N4.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;1-2-3-9-22-36(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;1-5-6-9-20-34(28-16-10-12-23-13-11-18-33-29(23)28)21-26-30-25(17-19-32-26)24-14-7-8-15-27(24)35(30)22-31(2,3)4;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;4-8,11-13,15-17,19-21,31H,2-3,9-10,14,18,22-24H2,1H3;7-8,11,13-15,17-19,28H,5-6,9-10,12,16,20-22H2,1-4H3;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.

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

N-[(9-benzylpyrido[3,4-b]indol-1-yl)methyl]-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine;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(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]pyrido[3,4-b]indol-9-yl]ethanone;N-[[9-(2,2-dimethylpropyl)pyrido[3,4-b]indol-1-yl]methyl]-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine;N-[[9-(2-methoxyethyl)pyrido[3,4-b]indol-1-yl]methyl]-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine has a molecular weight of 2426.35 g/mol, XLogP of 35.68, 45 rotatable bonds, 0 hydrogen bond donors, and 22 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;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(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]pyrido[3,4-b]indol-9-yl]ethanone;N-[[9-(2,2-dimethylpropyl)pyrido[3,4-b]indol-1-yl]methyl]-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine;N-[[9-(2-methoxyethyl)pyrido[3,4-b]indol-1-yl]methyl]-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine is sourced from PubChem (CID 161245536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).