tert-butyl [3-[[pentyl-[(8R)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]pyrido[3,4-b]indol-9-yl] carbonate;(8R)-N-[(9-methylpyrido[3,4-b]indol-3-yl)methyl]-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine;(8R)-N-[[9-(2-morpholin-4-ylethyl)pyrido[3,4-b]indol-3-yl]methyl]-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine;[3-[[pentyl-[(8R)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]pyrido[3,4-b]indol-9-yl] morpholine-4-carboxylate

C121H148N18O7 — CID 157482952

About tert-butyl [3-[[pentyl-[(8R)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]pyrido[3,4-b]indol-9-yl] carbonate;(8R)-N-[(9-methylpyrido[3,4-b]indol-3-yl)methyl]-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine;(8R)-N-[[9-(2-morpholin-4-ylethyl)pyrido[3,4-b]indol-3-yl]methyl]-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine;[3-[[pentyl-[(8R)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]pyrido[3,4-b]indol-9-yl] morpholine-4-carboxylate

tert-butyl [3-[[pentyl-[(8R)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]pyrido[3,4-b]indol-9-yl] carbonate;(8R)-N-[(9-methylpyrido[3,4-b]indol-3-yl)methyl]-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine;(8R)-N-[[9-(2-morpholin-4-ylethyl)pyrido[3,4-b]indol-3-yl]methyl]-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine;[3-[[pentyl-[(8R)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]pyrido[3,4-b]indol-9-yl] morpholine-4-carboxylate (PubChem CID 157482952) has the molecular formula C121H148N18O7 and a molecular weight of 1966.63 g/mol. Its IUPAC name is tert-butyl [3-[[pentyl-[(8R)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]pyrido[3,4-b]indol-9-yl] carbonate;(8R)-N-[(9-methylpyrido[3,4-b]indol-3-yl)methyl]-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine;(8R)-N-[[9-(2-morpholin-4-ylethyl)pyrido[3,4-b]indol-3-yl]methyl]-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine;[3-[[pentyl-[(8R)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]pyrido[3,4-b]indol-9-yl] morpholine-4-carboxylate.

Molecular Properties

• Compound Name: tert-butyl [3-[[pentyl-[(8R)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]pyrido[3,4-b]indol-9-yl] carbonate;(8R)-N-[(9-methylpyrido[3,4-b]indol-3-yl)methyl]-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine;(8R)-N-[[9-(2-morpholin-4-ylethyl)pyrido[3,4-b]indol-3-yl]methyl]-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine;[3-[[pentyl-[(8R)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]pyrido[3,4-b]indol-9-yl] morpholine-4-carboxylate
• PubChem CID: 157482952
• Molecular Formula: C121H148N18O7
• Molecular Weight: 1966.63 g/mol
• Exact Mass: 1965.18
• IUPAC Name: tert-butyl [3-[[pentyl-[(8R)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]pyrido[3,4-b]indol-9-yl] carbonate;(8R)-N-[(9-methylpyrido[3,4-b]indol-3-yl)methyl]-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine;(8R)-N-[[9-(2-morpholin-4-ylethyl)pyrido[3,4-b]indol-3-yl]methyl]-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine;[3-[[pentyl-[(8R)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]pyrido[3,4-b]indol-9-yl] morpholine-4-carboxylate
• SMILES: CCCCCN(Cc1cc2c3ccccc3n(C)c2cn1)[C@@H]1CCCc2cccnc21.CCCCCN(Cc1cc2c3ccccc3n(CCN3CCOCC3)c2cn1)[C@@H]1CCCc2cccnc21.CCCCCN(Cc1cc2c3ccccc3n(OC(=O)N3CCOCC3)c2cn1)[C@@H]1CCCc2cccnc21.CCCCCN(Cc1cc2c3ccccc3n(OC(=O)OC(C)(C)C)c2cn1)[C@@H]1CCCc2cccnc21
• InChI: InChI=1S/C32H41N5O.C31H37N5O3.C31H38N4O3.C27H32N4/c1-2-3-6-15-36(30-13-7-9-25-10-8-14-33-32(25)30)24-26-22-28-27-11-4-5-12-29(27)37(31(28)23-34-26)17-16-35-18-20-38-21-19-35;1-2-3-6-15-35(28-13-7-9-23-10-8-14-32-30(23)28)22-24-20-26-25-11-4-5-12-27(25)36(29(26)21-33-24)39-31(37)34-16-18-38-19-17-34;1-5-6-9-18-34(27-16-10-12-22-13-11-17-32-29(22)27)21-23-19-25-24-14-7-8-15-26(24)35(28(25)20-33-23)38-30(36)37-31(2,3)4;1-3-4-7-16-31(25-14-8-10-20-11-9-15-28-27(20)25)19-21-17-23-22-12-5-6-13-24(22)30(2)26(23)18-29-21/h4-5,8,10-12,14,22-23,30H,2-3,6-7,9,13,15-21,24H2,1H3;4-5,8,10-12,14,20-21,28H,2-3,6-7,9,13,15-19,22H2,1H3;7-8,11,13-15,17,19-20,27H,5-6,9-10,12,16,18,21H2,1-4H3;5-6,9,11-13,15,17-18,25H,3-4,7-8,10,14,16,19H2,1-2H3/t30-;28-;27-;25-/m1111/s1
• InChIKey: BWJHOSJXBOBAGB-LMDAXCDXSA-N
• XLogP: 24.73
• TPSA: 222.57 Ų
• H-Bond Acceptors: 24
• Rotatable Bonds: 33
• Heavy Atoms: 146
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1966.63
LogP ≤ 5	24.73
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl [3-[[pentyl-[(8R)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]pyrido[3,4-b]indol-9-yl] carbonate;(8R)-N-[(9-methylpyrido[3,4-b]indol-3-yl)methyl]-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine;(8R)-N-[[9-(2-morpholin-4-ylethyl)pyrido[3,4-b]indol-3-yl]methyl]-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine;[3-[[pentyl-[(8R)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]pyrido[3,4-b]indol-9-yl] morpholine-4-carboxylate?

The IUPAC name of tert-butyl [3-[[pentyl-[(8R)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]pyrido[3,4-b]indol-9-yl] carbonate;(8R)-N-[(9-methylpyrido[3,4-b]indol-3-yl)methyl]-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine;(8R)-N-[[9-(2-morpholin-4-ylethyl)pyrido[3,4-b]indol-3-yl]methyl]-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine;[3-[[pentyl-[(8R)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]pyrido[3,4-b]indol-9-yl] morpholine-4-carboxylate (CID 157482952) is tert-butyl [3-[[pentyl-[(8R)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]pyrido[3,4-b]indol-9-yl] carbonate;(8R)-N-[(9-methylpyrido[3,4-b]indol-3-yl)methyl]-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine;(8R)-N-[[9-(2-morpholin-4-ylethyl)pyrido[3,4-b]indol-3-yl]methyl]-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine;[3-[[pentyl-[(8R)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]pyrido[3,4-b]indol-9-yl] morpholine-4-carboxylate.

What is the SMILES notation for tert-butyl [3-[[pentyl-[(8R)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]pyrido[3,4-b]indol-9-yl] carbonate;(8R)-N-[(9-methylpyrido[3,4-b]indol-3-yl)methyl]-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine;(8R)-N-[[9-(2-morpholin-4-ylethyl)pyrido[3,4-b]indol-3-yl]methyl]-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine;[3-[[pentyl-[(8R)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]pyrido[3,4-b]indol-9-yl] morpholine-4-carboxylate?

The canonical SMILES for tert-butyl [3-[[pentyl-[(8R)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]pyrido[3,4-b]indol-9-yl] carbonate;(8R)-N-[(9-methylpyrido[3,4-b]indol-3-yl)methyl]-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine;(8R)-N-[[9-(2-morpholin-4-ylethyl)pyrido[3,4-b]indol-3-yl]methyl]-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine;[3-[[pentyl-[(8R)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]pyrido[3,4-b]indol-9-yl] morpholine-4-carboxylate is CCCCCN(Cc1cc2c3ccccc3n(C)c2cn1)[C@@H]1CCCc2cccnc21.CCCCCN(Cc1cc2c3ccccc3n(CCN3CCOCC3)c2cn1)[C@@H]1CCCc2cccnc21.CCCCCN(Cc1cc2c3ccccc3n(OC(=O)N3CCOCC3)c2cn1)[C@@H]1CCCc2cccnc21.CCCCCN(Cc1cc2c3ccccc3n(OC(=O)OC(C)(C)C)c2cn1)[C@@H]1CCCc2cccnc21.

What is the InChIKey of tert-butyl [3-[[pentyl-[(8R)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]pyrido[3,4-b]indol-9-yl] carbonate;(8R)-N-[(9-methylpyrido[3,4-b]indol-3-yl)methyl]-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine;(8R)-N-[[9-(2-morpholin-4-ylethyl)pyrido[3,4-b]indol-3-yl]methyl]-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine;[3-[[pentyl-[(8R)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]pyrido[3,4-b]indol-9-yl] morpholine-4-carboxylate?

The InChIKey is BWJHOSJXBOBAGB-LMDAXCDXSA-N. The full InChI is InChI=1S/C32H41N5O.C31H37N5O3.C31H38N4O3.C27H32N4/c1-2-3-6-15-36(30-13-7-9-25-10-8-14-33-32(25)30)24-26-22-28-27-11-4-5-12-29(27)37(31(28)23-34-26)17-16-35-18-20-38-21-19-35;1-2-3-6-15-35(28-13-7-9-23-10-8-14-32-30(23)28)22-24-20-26-25-11-4-5-12-27(25)36(29(26)21-33-24)39-31(37)34-16-18-38-19-17-34;1-5-6-9-18-34(27-16-10-12-22-13-11-17-32-29(22)27)21-23-19-25-24-14-7-8-15-26(24)35(28(25)20-33-23)38-30(36)37-31(2,3)4;1-3-4-7-16-31(25-14-8-10-20-11-9-15-28-27(20)25)19-21-17-23-22-12-5-6-13-24(22)30(2)26(23)18-29-21/h4-5,8,10-12,14,22-23,30H,2-3,6-7,9,13,15-21,24H2,1H3;4-5,8,10-12,14,20-21,28H,2-3,6-7,9,13,15-19,22H2,1H3;7-8,11,13-15,17,19-20,27H,5-6,9-10,12,16,18,21H2,1-4H3;5-6,9,11-13,15,17-18,25H,3-4,7-8,10,14,16,19H2,1-2H3/t30-;28-;27-;25-/m1111/s1.

What are the key properties of tert-butyl [3-[[pentyl-[(8R)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]pyrido[3,4-b]indol-9-yl] carbonate;(8R)-N-[(9-methylpyrido[3,4-b]indol-3-yl)methyl]-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine;(8R)-N-[[9-(2-morpholin-4-ylethyl)pyrido[3,4-b]indol-3-yl]methyl]-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine;[3-[[pentyl-[(8R)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]pyrido[3,4-b]indol-9-yl] morpholine-4-carboxylate?

tert-butyl [3-[[pentyl-[(8R)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]pyrido[3,4-b]indol-9-yl] carbonate;(8R)-N-[(9-methylpyrido[3,4-b]indol-3-yl)methyl]-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine;(8R)-N-[[9-(2-morpholin-4-ylethyl)pyrido[3,4-b]indol-3-yl]methyl]-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine;[3-[[pentyl-[(8R)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]pyrido[3,4-b]indol-9-yl] morpholine-4-carboxylate has a molecular weight of 1966.63 g/mol, XLogP of 24.73, 33 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl [3-[[pentyl-[(8R)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]pyrido[3,4-b]indol-9-yl] carbonate;(8R)-N-[(9-methylpyrido[3,4-b]indol-3-yl)methyl]-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine;(8R)-N-[[9-(2-morpholin-4-ylethyl)pyrido[3,4-b]indol-3-yl]methyl]-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine;[3-[[pentyl-[(8R)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]pyrido[3,4-b]indol-9-yl] morpholine-4-carboxylate is sourced from PubChem (CID 157482952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).