N-(9H-indeno[2,1-c]pyridin-1-ylmethyl)-N-(3-piperidin-1-ylpropyl)-5,6,7,8-tetrahydroquinolin-8-amine;methane;(8S)-N-[(9-methylpyrido[3,4-b]indol-1-yl)methyl]-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine;(8S)-N-[(9-methylpyrido[3,4-b]indol-3-yl)methyl]-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine;2-[3-[[pentyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]pyrido[3,4-b]indol-9-yl]acetamide;2-[3-[[pentyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]pyrido[3,4-b]indol-9-yl]acetic acid;bis(sulfur dioxide)

C141H169N21O7S2 — CID 158422153

About N-(9H-indeno[2,1-c]pyridin-1-ylmethyl)-N-(3-piperidin-1-ylpropyl)-5,6,7,8-tetrahydroquinolin-8-amine;methane;(8S)-N-[(9-methylpyrido[3,4-b]indol-1-yl)methyl]-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine;(8S)-N-[(9-methylpyrido[3,4-b]indol-3-yl)methyl]-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine;2-[3-[[pentyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]pyrido[3,4-b]indol-9-yl]acetamide;2-[3-[[pentyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]pyrido[3,4-b]indol-9-yl]acetic acid;bis(sulfur dioxide)

N-(9H-indeno[2,1-c]pyridin-1-ylmethyl)-N-(3-piperidin-1-ylpropyl)-5,6,7,8-tetrahydroquinolin-8-amine;methane;(8S)-N-[(9-methylpyrido[3,4-b]indol-1-yl)methyl]-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine;(8S)-N-[(9-methylpyrido[3,4-b]indol-3-yl)methyl]-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine;2-[3-[[pentyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]pyrido[3,4-b]indol-9-yl]acetamide;2-[3-[[pentyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]pyrido[3,4-b]indol-9-yl]acetic acid;bis(sulfur dioxide) (PubChem CID 158422153) has the molecular formula C141H169N21O7S2 and a molecular weight of 2334.18 g/mol. Its IUPAC name is N-(9H-indeno[2,1-c]pyridin-1-ylmethyl)-N-(3-piperidin-1-ylpropyl)-5,6,7,8-tetrahydroquinolin-8-amine;methane;(8S)-N-[(9-methylpyrido[3,4-b]indol-1-yl)methyl]-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine;(8S)-N-[(9-methylpyrido[3,4-b]indol-3-yl)methyl]-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine;2-[3-[[pentyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]pyrido[3,4-b]indol-9-yl]acetamide;2-[3-[[pentyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]pyrido[3,4-b]indol-9-yl]acetic acid;bis(sulfur dioxide).

Molecular Properties

• Compound Name: N-(9H-indeno[2,1-c]pyridin-1-ylmethyl)-N-(3-piperidin-1-ylpropyl)-5,6,7,8-tetrahydroquinolin-8-amine;methane;(8S)-N-[(9-methylpyrido[3,4-b]indol-1-yl)methyl]-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine;(8S)-N-[(9-methylpyrido[3,4-b]indol-3-yl)methyl]-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine;2-[3-[[pentyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]pyrido[3,4-b]indol-9-yl]acetamide;2-[3-[[pentyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]pyrido[3,4-b]indol-9-yl]acetic acid;bis(sulfur dioxide)
• PubChem CID: 158422153
• Molecular Formula: C141H169N21O7S2
• Molecular Weight: 2334.18 g/mol
• Exact Mass: 2332.30
• IUPAC Name: N-(9H-indeno[2,1-c]pyridin-1-ylmethyl)-N-(3-piperidin-1-ylpropyl)-5,6,7,8-tetrahydroquinolin-8-amine;methane;(8S)-N-[(9-methylpyrido[3,4-b]indol-1-yl)methyl]-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine;(8S)-N-[(9-methylpyrido[3,4-b]indol-3-yl)methyl]-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine;2-[3-[[pentyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]pyrido[3,4-b]indol-9-yl]acetamide;2-[3-[[pentyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]pyrido[3,4-b]indol-9-yl]acetic acid;bis(sulfur dioxide)
• SMILES: C.CCCCCN(Cc1cc2c3ccccc3n(C)c2cn1)[C@H]1CCCc2cccnc21.CCCCCN(Cc1cc2c3ccccc3n(CC(=O)O)c2cn1)[C@H]1CCCc2cccnc21.CCCCCN(Cc1cc2c3ccccc3n(CC(N)=O)c2cn1)[C@H]1CCCc2cccnc21.CCCCCN(Cc1nccc2c3ccccc3n(C)c12)[C@H]1CCCc2cccnc21.O=S=O.O=S=O.c1ccc2c(c1)Cc1c-2ccnc1CN(CCCN1CCCCC1)C1CCCc2cccnc21
• InChI: InChI=1S/C30H36N4.C28H33N5O.C28H32N4O2.2C27H32N4.CH4.2O2S/c1-4-17-33(18-5-1)19-8-20-34(29-13-6-10-23-11-7-15-32-30(23)29)22-28-27-21-24-9-2-3-12-25(24)26(27)14-16-31-28;1-2-3-6-15-32(25-13-7-9-20-10-8-14-30-28(20)25)18-21-16-23-22-11-4-5-12-24(22)33(19-27(29)34)26(23)17-31-21;1-2-3-6-15-31(25-13-7-9-20-10-8-14-29-28(20)25)18-21-16-23-22-11-4-5-12-24(22)32(19-27(33)34)26(23)17-30-21;1-3-4-7-18-31(25-14-8-10-20-11-9-16-29-26(20)25)19-23-27-22(15-17-28-23)21-12-5-6-13-24(21)30(27)2;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;;2*1-3-2/h2-3,7,9,11-12,14-16,29H,1,4-6,8,10,13,17-22H2;4-5,8,10-12,14,16-17,25H,2-3,6-7,9,13,15,18-19H2,1H3,(H2,29,34);4-5,8,10-12,14,16-17,25H,2-3,6-7,9,13,15,18-19H2,1H3,(H,33,34);5-6,9,11-13,15-17,25H,3-4,7-8,10,14,18-19H2,1-2H3;5-6,9,11-13,15,17-18,25H,3-4,7-8,10,14,16,19H2,1-2H3;1H4;;/t;4*25-;;;/m.0000.../s1
• InChIKey: HAPRLJCPVAVRJT-ZFYOAPTESA-N
• XLogP: 28.36
• TPSA: 316.73 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 26
• Rotatable Bonds: 39
• Heavy Atoms: 171
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2334.18
LogP ≤ 5	28.36
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(9H-indeno[2,1-c]pyridin-1-ylmethyl)-N-(3-piperidin-1-ylpropyl)-5,6,7,8-tetrahydroquinolin-8-amine;methane;(8S)-N-[(9-methylpyrido[3,4-b]indol-1-yl)methyl]-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine;(8S)-N-[(9-methylpyrido[3,4-b]indol-3-yl)methyl]-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine;2-[3-[[pentyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]pyrido[3,4-b]indol-9-yl]acetamide;2-[3-[[pentyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]pyrido[3,4-b]indol-9-yl]acetic acid;bis(sulfur dioxide)?

The IUPAC name of N-(9H-indeno[2,1-c]pyridin-1-ylmethyl)-N-(3-piperidin-1-ylpropyl)-5,6,7,8-tetrahydroquinolin-8-amine;methane;(8S)-N-[(9-methylpyrido[3,4-b]indol-1-yl)methyl]-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine;(8S)-N-[(9-methylpyrido[3,4-b]indol-3-yl)methyl]-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine;2-[3-[[pentyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]pyrido[3,4-b]indol-9-yl]acetamide;2-[3-[[pentyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]pyrido[3,4-b]indol-9-yl]acetic acid;bis(sulfur dioxide) (CID 158422153) is N-(9H-indeno[2,1-c]pyridin-1-ylmethyl)-N-(3-piperidin-1-ylpropyl)-5,6,7,8-tetrahydroquinolin-8-amine;methane;(8S)-N-[(9-methylpyrido[3,4-b]indol-1-yl)methyl]-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine;(8S)-N-[(9-methylpyrido[3,4-b]indol-3-yl)methyl]-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine;2-[3-[[pentyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]pyrido[3,4-b]indol-9-yl]acetamide;2-[3-[[pentyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]pyrido[3,4-b]indol-9-yl]acetic acid;bis(sulfur dioxide).

What is the SMILES notation for N-(9H-indeno[2,1-c]pyridin-1-ylmethyl)-N-(3-piperidin-1-ylpropyl)-5,6,7,8-tetrahydroquinolin-8-amine;methane;(8S)-N-[(9-methylpyrido[3,4-b]indol-1-yl)methyl]-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine;(8S)-N-[(9-methylpyrido[3,4-b]indol-3-yl)methyl]-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine;2-[3-[[pentyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]pyrido[3,4-b]indol-9-yl]acetamide;2-[3-[[pentyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]pyrido[3,4-b]indol-9-yl]acetic acid;bis(sulfur dioxide)?

The canonical SMILES for N-(9H-indeno[2,1-c]pyridin-1-ylmethyl)-N-(3-piperidin-1-ylpropyl)-5,6,7,8-tetrahydroquinolin-8-amine;methane;(8S)-N-[(9-methylpyrido[3,4-b]indol-1-yl)methyl]-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine;(8S)-N-[(9-methylpyrido[3,4-b]indol-3-yl)methyl]-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine;2-[3-[[pentyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]pyrido[3,4-b]indol-9-yl]acetamide;2-[3-[[pentyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]pyrido[3,4-b]indol-9-yl]acetic acid;bis(sulfur dioxide) is C.CCCCCN(Cc1cc2c3ccccc3n(C)c2cn1)[C@H]1CCCc2cccnc21.CCCCCN(Cc1cc2c3ccccc3n(CC(=O)O)c2cn1)[C@H]1CCCc2cccnc21.CCCCCN(Cc1cc2c3ccccc3n(CC(N)=O)c2cn1)[C@H]1CCCc2cccnc21.CCCCCN(Cc1nccc2c3ccccc3n(C)c12)[C@H]1CCCc2cccnc21.O=S=O.O=S=O.c1ccc2c(c1)Cc1c-2ccnc1CN(CCCN1CCCCC1)C1CCCc2cccnc21.

What is the InChIKey of N-(9H-indeno[2,1-c]pyridin-1-ylmethyl)-N-(3-piperidin-1-ylpropyl)-5,6,7,8-tetrahydroquinolin-8-amine;methane;(8S)-N-[(9-methylpyrido[3,4-b]indol-1-yl)methyl]-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine;(8S)-N-[(9-methylpyrido[3,4-b]indol-3-yl)methyl]-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine;2-[3-[[pentyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]pyrido[3,4-b]indol-9-yl]acetamide;2-[3-[[pentyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]pyrido[3,4-b]indol-9-yl]acetic acid;bis(sulfur dioxide)?

The InChIKey is HAPRLJCPVAVRJT-ZFYOAPTESA-N. The full InChI is InChI=1S/C30H36N4.C28H33N5O.C28H32N4O2.2C27H32N4.CH4.2O2S/c1-4-17-33(18-5-1)19-8-20-34(29-13-6-10-23-11-7-15-32-30(23)29)22-28-27-21-24-9-2-3-12-25(24)26(27)14-16-31-28;1-2-3-6-15-32(25-13-7-9-20-10-8-14-30-28(20)25)18-21-16-23-22-11-4-5-12-24(22)33(19-27(29)34)26(23)17-31-21;1-2-3-6-15-31(25-13-7-9-20-10-8-14-29-28(20)25)18-21-16-23-22-11-4-5-12-24(22)32(19-27(33)34)26(23)17-30-21;1-3-4-7-18-31(25-14-8-10-20-11-9-16-29-26(20)25)19-23-27-22(15-17-28-23)21-12-5-6-13-24(21)30(27)2;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;;2*1-3-2/h2-3,7,9,11-12,14-16,29H,1,4-6,8,10,13,17-22H2;4-5,8,10-12,14,16-17,25H,2-3,6-7,9,13,15,18-19H2,1H3,(H2,29,34);4-5,8,10-12,14,16-17,25H,2-3,6-7,9,13,15,18-19H2,1H3,(H,33,34);5-6,9,11-13,15-17,25H,3-4,7-8,10,14,18-19H2,1-2H3;5-6,9,11-13,15,17-18,25H,3-4,7-8,10,14,16,19H2,1-2H3;1H4;;/t;4*25-;;;/m.0000.../s1.

What are the key properties of N-(9H-indeno[2,1-c]pyridin-1-ylmethyl)-N-(3-piperidin-1-ylpropyl)-5,6,7,8-tetrahydroquinolin-8-amine;methane;(8S)-N-[(9-methylpyrido[3,4-b]indol-1-yl)methyl]-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine;(8S)-N-[(9-methylpyrido[3,4-b]indol-3-yl)methyl]-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine;2-[3-[[pentyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]pyrido[3,4-b]indol-9-yl]acetamide;2-[3-[[pentyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]pyrido[3,4-b]indol-9-yl]acetic acid;bis(sulfur dioxide)?

N-(9H-indeno[2,1-c]pyridin-1-ylmethyl)-N-(3-piperidin-1-ylpropyl)-5,6,7,8-tetrahydroquinolin-8-amine;methane;(8S)-N-[(9-methylpyrido[3,4-b]indol-1-yl)methyl]-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine;(8S)-N-[(9-methylpyrido[3,4-b]indol-3-yl)methyl]-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine;2-[3-[[pentyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]pyrido[3,4-b]indol-9-yl]acetamide;2-[3-[[pentyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]pyrido[3,4-b]indol-9-yl]acetic acid;bis(sulfur dioxide) has a molecular weight of 2334.18 g/mol, XLogP of 28.36, 39 rotatable bonds, 2 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for N-(9H-indeno[2,1-c]pyridin-1-ylmethyl)-N-(3-piperidin-1-ylpropyl)-5,6,7,8-tetrahydroquinolin-8-amine;methane;(8S)-N-[(9-methylpyrido[3,4-b]indol-1-yl)methyl]-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine;(8S)-N-[(9-methylpyrido[3,4-b]indol-3-yl)methyl]-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine;2-[3-[[pentyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]pyrido[3,4-b]indol-9-yl]acetamide;2-[3-[[pentyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]pyrido[3,4-b]indol-9-yl]acetic acid;bis(sulfur dioxide) is sourced from PubChem (CID 158422153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).