(8S)-N-[[9-(3-aminopropyl)pyrido[3,4-b]indol-1-yl]methyl]-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine;(4S)-N-([1]benzofuro[2,3-c]pyridin-1-ylmethyl)-N-(3-piperidin-1-ylpropyl)-3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-amine;tert-butyl 2-[1-[[3-piperidin-1-ylpropyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]pyrido[3,4-b]indol-9-yl]acetate;1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-[1-[[pentyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]pyrido[3,4-b]indol-9-yl]ethanone;1-morpholin-4-yl-2-[1-[[3-piperidin-1-ylpropyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]pyrido[3,4-b]indol-9-yl]ethanone

C161H201N25O8 — CID 160619479

About (8S)-N-[[9-(3-aminopropyl)pyrido[3,4-b]indol-1-yl]methyl]-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine;(4S)-N-([1]benzofuro[2,3-c]pyridin-1-ylmethyl)-N-(3-piperidin-1-ylpropyl)-3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-amine;tert-butyl 2-[1-[[3-piperidin-1-ylpropyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]pyrido[3,4-b]indol-9-yl]acetate;1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-[1-[[pentyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]pyrido[3,4-b]indol-9-yl]ethanone;1-morpholin-4-yl-2-[1-[[3-piperidin-1-ylpropyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]pyrido[3,4-b]indol-9-yl]ethanone

(8S)-N-[[9-(3-aminopropyl)pyrido[3,4-b]indol-1-yl]methyl]-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine;(4S)-N-([1]benzofuro[2,3-c]pyridin-1-ylmethyl)-N-(3-piperidin-1-ylpropyl)-3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-amine;tert-butyl 2-[1-[[3-piperidin-1-ylpropyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]pyrido[3,4-b]indol-9-yl]acetate;1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-[1-[[pentyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]pyrido[3,4-b]indol-9-yl]ethanone;1-morpholin-4-yl-2-[1-[[3-piperidin-1-ylpropyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]pyrido[3,4-b]indol-9-yl]ethanone (PubChem CID 160619479) has the molecular formula C161H201N25O8 and a molecular weight of 2614.55 g/mol. Its IUPAC name is (8S)-N-[[9-(3-aminopropyl)pyrido[3,4-b]indol-1-yl]methyl]-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine;(4S)-N-([1]benzofuro[2,3-c]pyridin-1-ylmethyl)-N-(3-piperidin-1-ylpropyl)-3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-amine;tert-butyl 2-[1-[[3-piperidin-1-ylpropyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]pyrido[3,4-b]indol-9-yl]acetate;1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-[1-[[pentyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]pyrido[3,4-b]indol-9-yl]ethanone;1-morpholin-4-yl-2-[1-[[3-piperidin-1-ylpropyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]pyrido[3,4-b]indol-9-yl]ethanone.

Molecular Properties

• Compound Name: (8S)-N-[[9-(3-aminopropyl)pyrido[3,4-b]indol-1-yl]methyl]-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine;(4S)-N-([1]benzofuro[2,3-c]pyridin-1-ylmethyl)-N-(3-piperidin-1-ylpropyl)-3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-amine;tert-butyl 2-[1-[[3-piperidin-1-ylpropyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]pyrido[3,4-b]indol-9-yl]acetate;1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-[1-[[pentyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]pyrido[3,4-b]indol-9-yl]ethanone;1-morpholin-4-yl-2-[1-[[3-piperidin-1-ylpropyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]pyrido[3,4-b]indol-9-yl]ethanone
• PubChem CID: 160619479
• Molecular Formula: C161H201N25O8
• Molecular Weight: 2614.55 g/mol
• Exact Mass: 2612.61
• IUPAC Name: (8S)-N-[[9-(3-aminopropyl)pyrido[3,4-b]indol-1-yl]methyl]-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine;(4S)-N-([1]benzofuro[2,3-c]pyridin-1-ylmethyl)-N-(3-piperidin-1-ylpropyl)-3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-amine;tert-butyl 2-[1-[[3-piperidin-1-ylpropyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]pyrido[3,4-b]indol-9-yl]acetate;1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-[1-[[pentyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]pyrido[3,4-b]indol-9-yl]ethanone;1-morpholin-4-yl-2-[1-[[3-piperidin-1-ylpropyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]pyrido[3,4-b]indol-9-yl]ethanone
• SMILES: CC(C)(C)OC(=O)Cn1c2ccccc2c2ccnc(CN(CCCN3CCCCC3)[C@H]3CCCc4cccnc43)c21.CCCCCN(Cc1nccc2c3ccccc3n(CC(=O)N3C[C@@H](C)O[C@@H](C)C3)c12)[C@H]1CCCc2cccnc21.CCCCCN(Cc1nccc2c3ccccc3n(CCCN)c12)[C@H]1CCCc2cccnc21.O=C(Cn1c2ccccc2c2ccnc(CN(CCCN3CCCCC3)[C@H]3CCCc4cccnc43)c21)N1CCOCC1.c1cnc2c(c1)OCC[C@@H]2N(CCCN1CCCCC1)Cc1nccc2c1oc1ccccc12
• InChI: InChI=1S/C35H44N6O2.C35H45N5O2.C34H43N5O2.C29H37N5.C28H32N4O2/c42-33(39-21-23-43-24-22-39)26-41-31-12-3-2-11-28(31)29-14-16-36-30(35(29)41)25-40(20-8-19-38-17-4-1-5-18-38)32-13-6-9-27-10-7-15-37-34(27)32;1-35(2,3)42-32(41)25-40-30-15-6-5-14-27(30)28-17-19-36-29(34(28)40)24-39(23-11-22-38-20-7-4-8-21-38)31-16-9-12-26-13-10-18-37-33(26)31;1-4-5-8-19-37(31-15-9-11-26-12-10-17-36-33(26)31)22-29-34-28(16-18-35-29)27-13-6-7-14-30(27)39(34)23-32(40)38-20-24(2)41-25(3)21-38;1-2-3-6-19-33(27-14-7-10-22-11-8-17-32-28(22)27)21-25-29-24(15-18-31-25)23-12-4-5-13-26(23)34(29)20-9-16-30;1-4-15-31(16-5-1)17-7-18-32(24-12-19-33-26-10-6-13-30-27(24)26)20-23-28-22(11-14-29-23)21-8-2-3-9-25(21)34-28/h2-3,7,10-12,14-16,32H,1,4-6,8-9,13,17-26H2;5-6,10,13-15,17-19,31H,4,7-9,11-12,16,20-25H2,1-3H3;6-7,10,12-14,16-18,24-25,31H,4-5,8-9,11,15,19-23H2,1-3H3;4-5,8,11-13,15,17-18,27H,2-3,6-7,9-10,14,16,19-21,30H2,1H3;2-3,6,8-11,13-14,24H,1,4-5,7,12,15-20H2/t32-;31-;24-,25+,31-;27-;24-/m00000/s1
• InChIKey: RGNCWAOLDFBDBK-DGQGWBEKSA-N
• XLogP: 29.75
• TPSA: 308.31 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 31
• Rotatable Bonds: 44
• Heavy Atoms: 194
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2614.55
LogP ≤ 5	29.75
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	31

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-(3-aminopropyl)pyrido[3,4-b]indol-1-yl]methyl]-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine;(4S)-N-([1]benzofuro[2,3-c]pyridin-1-ylmethyl)-N-(3-piperidin-1-ylpropyl)-3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-amine;tert-butyl 2-[1-[[3-piperidin-1-ylpropyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]pyrido[3,4-b]indol-9-yl]acetate;1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-[1-[[pentyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]pyrido[3,4-b]indol-9-yl]ethanone;1-morpholin-4-yl-2-[1-[[3-piperidin-1-ylpropyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]pyrido[3,4-b]indol-9-yl]ethanone?

The IUPAC name of (8S)-N-[[9-(3-aminopropyl)pyrido[3,4-b]indol-1-yl]methyl]-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine;(4S)-N-([1]benzofuro[2,3-c]pyridin-1-ylmethyl)-N-(3-piperidin-1-ylpropyl)-3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-amine;tert-butyl 2-[1-[[3-piperidin-1-ylpropyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]pyrido[3,4-b]indol-9-yl]acetate;1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-[1-[[pentyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]pyrido[3,4-b]indol-9-yl]ethanone;1-morpholin-4-yl-2-[1-[[3-piperidin-1-ylpropyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]pyrido[3,4-b]indol-9-yl]ethanone (CID 160619479) is (8S)-N-[[9-(3-aminopropyl)pyrido[3,4-b]indol-1-yl]methyl]-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine;(4S)-N-([1]benzofuro[2,3-c]pyridin-1-ylmethyl)-N-(3-piperidin-1-ylpropyl)-3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-amine;tert-butyl 2-[1-[[3-piperidin-1-ylpropyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]pyrido[3,4-b]indol-9-yl]acetate;1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-[1-[[pentyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]pyrido[3,4-b]indol-9-yl]ethanone;1-morpholin-4-yl-2-[1-[[3-piperidin-1-ylpropyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]pyrido[3,4-b]indol-9-yl]ethanone.

What is the SMILES notation for (8S)-N-[[9-(3-aminopropyl)pyrido[3,4-b]indol-1-yl]methyl]-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine;(4S)-N-([1]benzofuro[2,3-c]pyridin-1-ylmethyl)-N-(3-piperidin-1-ylpropyl)-3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-amine;tert-butyl 2-[1-[[3-piperidin-1-ylpropyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]pyrido[3,4-b]indol-9-yl]acetate;1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-[1-[[pentyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]pyrido[3,4-b]indol-9-yl]ethanone;1-morpholin-4-yl-2-[1-[[3-piperidin-1-ylpropyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]pyrido[3,4-b]indol-9-yl]ethanone?

The canonical SMILES for (8S)-N-[[9-(3-aminopropyl)pyrido[3,4-b]indol-1-yl]methyl]-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine;(4S)-N-([1]benzofuro[2,3-c]pyridin-1-ylmethyl)-N-(3-piperidin-1-ylpropyl)-3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-amine;tert-butyl 2-[1-[[3-piperidin-1-ylpropyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]pyrido[3,4-b]indol-9-yl]acetate;1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-[1-[[pentyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]pyrido[3,4-b]indol-9-yl]ethanone;1-morpholin-4-yl-2-[1-[[3-piperidin-1-ylpropyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]pyrido[3,4-b]indol-9-yl]ethanone is CC(C)(C)OC(=O)Cn1c2ccccc2c2ccnc(CN(CCCN3CCCCC3)[C@H]3CCCc4cccnc43)c21.CCCCCN(Cc1nccc2c3ccccc3n(CC(=O)N3C[C@@H](C)O[C@@H](C)C3)c12)[C@H]1CCCc2cccnc21.CCCCCN(Cc1nccc2c3ccccc3n(CCCN)c12)[C@H]1CCCc2cccnc21.O=C(Cn1c2ccccc2c2ccnc(CN(CCCN3CCCCC3)[C@H]3CCCc4cccnc43)c21)N1CCOCC1.c1cnc2c(c1)OCC[C@@H]2N(CCCN1CCCCC1)Cc1nccc2c1oc1ccccc12.

What is the InChIKey of (8S)-N-[[9-(3-aminopropyl)pyrido[3,4-b]indol-1-yl]methyl]-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine;(4S)-N-([1]benzofuro[2,3-c]pyridin-1-ylmethyl)-N-(3-piperidin-1-ylpropyl)-3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-amine;tert-butyl 2-[1-[[3-piperidin-1-ylpropyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]pyrido[3,4-b]indol-9-yl]acetate;1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-[1-[[pentyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]pyrido[3,4-b]indol-9-yl]ethanone;1-morpholin-4-yl-2-[1-[[3-piperidin-1-ylpropyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]pyrido[3,4-b]indol-9-yl]ethanone?

The InChIKey is RGNCWAOLDFBDBK-DGQGWBEKSA-N. The full InChI is InChI=1S/C35H44N6O2.C35H45N5O2.C34H43N5O2.C29H37N5.C28H32N4O2/c42-33(39-21-23-43-24-22-39)26-41-31-12-3-2-11-28(31)29-14-16-36-30(35(29)41)25-40(20-8-19-38-17-4-1-5-18-38)32-13-6-9-27-10-7-15-37-34(27)32;1-35(2,3)42-32(41)25-40-30-15-6-5-14-27(30)28-17-19-36-29(34(28)40)24-39(23-11-22-38-20-7-4-8-21-38)31-16-9-12-26-13-10-18-37-33(26)31;1-4-5-8-19-37(31-15-9-11-26-12-10-17-36-33(26)31)22-29-34-28(16-18-35-29)27-13-6-7-14-30(27)39(34)23-32(40)38-20-24(2)41-25(3)21-38;1-2-3-6-19-33(27-14-7-10-22-11-8-17-32-28(22)27)21-25-29-24(15-18-31-25)23-12-4-5-13-26(23)34(29)20-9-16-30;1-4-15-31(16-5-1)17-7-18-32(24-12-19-33-26-10-6-13-30-27(24)26)20-23-28-22(11-14-29-23)21-8-2-3-9-25(21)34-28/h2-3,7,10-12,14-16,32H,1,4-6,8-9,13,17-26H2;5-6,10,13-15,17-19,31H,4,7-9,11-12,16,20-25H2,1-3H3;6-7,10,12-14,16-18,24-25,31H,4-5,8-9,11,15,19-23H2,1-3H3;4-5,8,11-13,15,17-18,27H,2-3,6-7,9-10,14,16,19-21,30H2,1H3;2-3,6,8-11,13-14,24H,1,4-5,7,12,15-20H2/t32-;31-;24-,25+,31-;27-;24-/m00000/s1.

What are the key properties of (8S)-N-[[9-(3-aminopropyl)pyrido[3,4-b]indol-1-yl]methyl]-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine;(4S)-N-([1]benzofuro[2,3-c]pyridin-1-ylmethyl)-N-(3-piperidin-1-ylpropyl)-3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-amine;tert-butyl 2-[1-[[3-piperidin-1-ylpropyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]pyrido[3,4-b]indol-9-yl]acetate;1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-[1-[[pentyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]pyrido[3,4-b]indol-9-yl]ethanone;1-morpholin-4-yl-2-[1-[[3-piperidin-1-ylpropyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]pyrido[3,4-b]indol-9-yl]ethanone?

(8S)-N-[[9-(3-aminopropyl)pyrido[3,4-b]indol-1-yl]methyl]-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine;(4S)-N-([1]benzofuro[2,3-c]pyridin-1-ylmethyl)-N-(3-piperidin-1-ylpropyl)-3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-amine;tert-butyl 2-[1-[[3-piperidin-1-ylpropyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]pyrido[3,4-b]indol-9-yl]acetate;1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-[1-[[pentyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]pyrido[3,4-b]indol-9-yl]ethanone;1-morpholin-4-yl-2-[1-[[3-piperidin-1-ylpropyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]pyrido[3,4-b]indol-9-yl]ethanone has a molecular weight of 2614.55 g/mol, XLogP of 29.75, 44 rotatable bonds, 1 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for (8S)-N-[[9-(3-aminopropyl)pyrido[3,4-b]indol-1-yl]methyl]-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine;(4S)-N-([1]benzofuro[2,3-c]pyridin-1-ylmethyl)-N-(3-piperidin-1-ylpropyl)-3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-amine;tert-butyl 2-[1-[[3-piperidin-1-ylpropyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]pyrido[3,4-b]indol-9-yl]acetate;1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-[1-[[pentyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]pyrido[3,4-b]indol-9-yl]ethanone;1-morpholin-4-yl-2-[1-[[3-piperidin-1-ylpropyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]pyrido[3,4-b]indol-9-yl]ethanone is sourced from PubChem (CID 160619479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).