(8S)-N-([1]benzofuro[2,3-c]pyridin-1-ylmethyl)-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine;(8S)-N-([1]benzofuro[2,3-c]pyridin-3-ylmethyl)-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine;(8S)-N-([1]benzofuro[2,3-c]pyridin-1-ylmethyl)-N-(3-piperidin-1-ylpropyl)-5,6,7,8-tetrahydroquinolin-8-amine;(8S)-N-([1]benzofuro[2,3-c]pyridin-3-ylmethyl)-N-(3-piperidin-1-ylpropyl)-5,6,7,8-tetrahydroquinolin-8-amine;2-[1-[[methyl-(2-propoxy-1-pyridin-2-ylethyl)amino]methyl]pyrido[3,4-b]indol-9-yl]-1-morpholin-4-ylethanone

C139H161N19O7 — CID 159905479

IUPAC(8S)-N-([1]benzofuro[2,3-c]pyridin-1-ylmethyl)-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine;(8S)-N-([1]benzofuro[2,3-c]pyridin-3-ylmethyl)-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine;(8S)-N-([1]benzofuro[2,3-c]pyridin-1-ylmethyl)-N-(3-piperidin-1-ylpropyl)-5,6,7,8-tetrahydroquinolin-8-amine;(8S)-N-([1]benzofuro[2,3-c]pyridin-3-ylmethyl)-N-(3-piperidin-1-ylpropyl)-5,6,7,8-tetrahydroquinolin-8-amine;2-[1-[[methyl-(2-propoxy-1-pyridin-2-ylethyl)amino]methyl]pyrido[3,4-b]indol-9-yl]-1-morpholin-4-ylethanone
SMILESCCCCCN(Cc1cc2c(cn1)oc1ccccc12)[C@H]1CCCc2cccnc21.CCCCCN(Cc1nccc2c1oc1ccccc12)[C@H]1CCCc2cccnc21.CCCOCC(c1ccccn1)N(C)Cc1nccc2c3ccccc3n(CC(=O)N3CCOCC3)c12.c1cnc2c(c1)CCC[C@@H]2N(CCCN1CCCCC1)Cc1cc2c(cn1)oc1ccccc12.c1cnc2c(c1)CCC[C@@H]2N(CCCN1CCCCC1)Cc1nccc2c1oc1ccccc12
InChIInChI=1S/C29H35N5O3.2C29H34N4O.2C26H29N3O/c1-3-16-37-21-27(24-9-6-7-12-30-24)32(2)19-25-29-23(11-13-31-25)22-8-4-5-10-26(22)34(29)20-28(35)33-14-17-36-18-15-33;1-4-17-32(18-5-1)19-8-20-33(26-12-6-9-22-10-7-15-31-28(22)26)21-25-29-24(14-16-30-25)23-11-2-3-13-27(23)34-29;1-4-15-32(16-5-1)17-8-18-33(26-12-6-9-22-10-7-14-30-29(22)26)21-23-19-25-24-11-2-3-13-27(24)34-28(25)20-31-23;1-2-3-6-17-29(23-12-7-9-19-10-8-15-28-25(19)23)18-22-26-21(14-16-27-22)20-11-4-5-13-24(20)30-26;1-2-3-6-15-29(23-12-7-9-19-10-8-14-27-26(19)23)18-20-16-22-21-11-4-5-13-24(21)30-25(22)17-28-20/h4-13,27H,3,14-21H2,1-2H3;2-3,7,10-11,13-16,26H,1,4-6,8-9,12,17-21H2;2-3,7,10-11,13-14,19-20,26H,1,4-6,8-9,12,15-18,21H2;4-5,8,10-11,13-16,23H,2-3,6-7,9,12,17-18H2,1H3;4-5,8,10-11,13-14,16-17,23H,2-3,6-7,9,12,15,18H2,1H3/t;2*26-;2*23-/m.0000/s1
InChIKeyNWNCLZNMIOXNDK-RTAPNTDRSA-N
MW2209.94 g/mol
LogP29.20
Rot. Bonds38

About (8S)-N-([1]benzofuro[2,3-c]pyridin-1-ylmethyl)-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine;(8S)-N-([1]benzofuro[2,3-c]pyridin-3-ylmethyl)-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine;(8S)-N-([1]benzofuro[2,3-c]pyridin-1-ylmethyl)-N-(3-piperidin-1-ylpropyl)-5,6,7,8-tetrahydroquinolin-8-amine;(8S)-N-([1]benzofuro[2,3-c]pyridin-3-ylmethyl)-N-(3-piperidin-1-ylpropyl)-5,6,7,8-tetrahydroquinolin-8-amine;2-[1-[[methyl-(2-propoxy-1-pyridin-2-ylethyl)amino]methyl]pyrido[3,4-b]indol-9-yl]-1-morpholin-4-ylethanone

(8S)-N-([1]benzofuro[2,3-c]pyridin-1-ylmethyl)-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine;(8S)-N-([1]benzofuro[2,3-c]pyridin-3-ylmethyl)-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine;(8S)-N-([1]benzofuro[2,3-c]pyridin-1-ylmethyl)-N-(3-piperidin-1-ylpropyl)-5,6,7,8-tetrahydroquinolin-8-amine;(8S)-N-([1]benzofuro[2,3-c]pyridin-3-ylmethyl)-N-(3-piperidin-1-ylpropyl)-5,6,7,8-tetrahydroquinolin-8-amine;2-[1-[[methyl-(2-propoxy-1-pyridin-2-ylethyl)amino]methyl]pyrido[3,4-b]indol-9-yl]-1-morpholin-4-ylethanone (PubChem CID 159905479) has the molecular formula C139H161N19O7 and a molecular weight of 2209.94 g/mol. Its IUPAC name is (8S)-N-([1]benzofuro[2,3-c]pyridin-1-ylmethyl)-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine;(8S)-N-([1]benzofuro[2,3-c]pyridin-3-ylmethyl)-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine;(8S)-N-([1]benzofuro[2,3-c]pyridin-1-ylmethyl)-N-(3-piperidin-1-ylpropyl)-5,6,7,8-tetrahydroquinolin-8-amine;(8S)-N-([1]benzofuro[2,3-c]pyridin-3-ylmethyl)-N-(3-piperidin-1-ylpropyl)-5,6,7,8-tetrahydroquinolin-8-amine;2-[1-[[methyl-(2-propoxy-1-pyridin-2-ylethyl)amino]methyl]pyrido[3,4-b]indol-9-yl]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name(8S)-N-([1]benzofuro[2,3-c]pyridin-1-ylmethyl)-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine;(8S)-N-([1]benzofuro[2,3-c]pyridin-3-ylmethyl)-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine;(8S)-N-([1]benzofuro[2,3-c]pyridin-1-ylmethyl)-N-(3-piperidin-1-ylpropyl)-5,6,7,8-tetrahydroquinolin-8-amine;(8S)-N-([1]benzofuro[2,3-c]pyridin-3-ylmethyl)-N-(3-piperidin-1-ylpropyl)-5,6,7,8-tetrahydroquinolin-8-amine;2-[1-[[methyl-(2-propoxy-1-pyridin-2-ylethyl)amino]methyl]pyrido[3,4-b]indol-9-yl]-1-morpholin-4-ylethanone
PubChem CID159905479
Molecular FormulaC139H161N19O7
Molecular Weight2209.94 g/mol
Exact Mass2208.28
IUPAC Name(8S)-N-([1]benzofuro[2,3-c]pyridin-1-ylmethyl)-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine;(8S)-N-([1]benzofuro[2,3-c]pyridin-3-ylmethyl)-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine;(8S)-N-([1]benzofuro[2,3-c]pyridin-1-ylmethyl)-N-(3-piperidin-1-ylpropyl)-5,6,7,8-tetrahydroquinolin-8-amine;(8S)-N-([1]benzofuro[2,3-c]pyridin-3-ylmethyl)-N-(3-piperidin-1-ylpropyl)-5,6,7,8-tetrahydroquinolin-8-amine;2-[1-[[methyl-(2-propoxy-1-pyridin-2-ylethyl)amino]methyl]pyrido[3,4-b]indol-9-yl]-1-morpholin-4-ylethanone
SMILESCCCCCN(Cc1cc2c(cn1)oc1ccccc12)[C@H]1CCCc2cccnc21.CCCCCN(Cc1nccc2c1oc1ccccc12)[C@H]1CCCc2cccnc21.CCCOCC(c1ccccn1)N(C)Cc1nccc2c3ccccc3n(CC(=O)N3CCOCC3)c12.c1cnc2c(c1)CCC[C@@H]2N(CCCN1CCCCC1)Cc1cc2c(cn1)oc1ccccc12.c1cnc2c(c1)CCC[C@@H]2N(CCCN1CCCCC1)Cc1nccc2c1oc1ccccc12
InChIInChI=1S/C29H35N5O3.2C29H34N4O.2C26H29N3O/c1-3-16-37-21-27(24-9-6-7-12-30-24)32(2)19-25-29-23(11-13-31-25)22-8-4-5-10-26(22)34(29)20-28(35)33-14-17-36-18-15-33;1-4-17-32(18-5-1)19-8-20-33(26-12-6-9-22-10-7-15-31-28(22)26)21-25-29-24(14-16-30-25)23-11-2-3-13-27(23)34-29;1-4-15-32(16-5-1)17-8-18-33(26-12-6-9-22-10-7-14-30-29(22)26)21-23-19-25-24-11-2-3-13-27(24)34-28(25)20-31-23;1-2-3-6-17-29(23-12-7-9-19-10-8-15-28-25(19)23)18-22-26-21(14-16-27-22)20-11-4-5-13-24(20)30-26;1-2-3-6-15-29(23-12-7-9-19-10-8-14-27-26(19)23)18-20-16-22-21-11-4-5-13-24(21)30-25(22)17-28-20/h4-13,27H,3,14-21H2,1-2H3;2-3,7,10-11,13-16,26H,1,4-6,8-9,12,17-21H2;2-3,7,10-11,13-14,19-20,26H,1,4-6,8-9,12,15-18,21H2;4-5,8,10-11,13-16,23H,2-3,6-7,9,12,17-18H2,1H3;4-5,8,10-11,13-14,16-17,23H,2-3,6-7,9,12,15,18H2,1H3/t;2*26-;2*23-/m.0000/s1
InChIKeyNWNCLZNMIOXNDK-RTAPNTDRSA-N
XLogP29.20
TPSA247.84 Ų
H-Bond Donors
H-Bond Acceptors25
Rotatable Bonds38
Heavy Atoms165
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002209.94
LogP ≤ 529.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

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

Analyze (8S)-N-([1]benzofuro[2,3-c]pyridin-1-ylmethyl)-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine;(8S)-N-([1]benzofuro[2,3-c]pyridin-3-ylmethyl)-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine;(8S)-N-([1]benzofuro[2,3-c]pyridin-1-ylmethyl)-N-(3-piperidin-1-ylpropyl)-5,6,7,8-tetrahydroquinolin-8-amine;(8S)-N-([1]benzofuro[2,3-c]pyridin-3-ylmethyl)-N-(3-piperidin-1-ylpropyl)-5,6,7,8-tetrahydroquinolin-8-amine;2-[1-[[methyl-(2-propoxy-1-pyridin-2-ylethyl)amino]methyl]pyrido[3,4-b]indol-9-yl]-1-morpholin-4-ylethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of (8S)-N-([1]benzofuro[2,3-c]pyridin-1-ylmethyl)-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine;(8S)-N-([1]benzofuro[2,3-c]pyridin-3-ylmethyl)-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine;(8S)-N-([1]benzofuro[2,3-c]pyridin-1-ylmethyl)-N-(3-piperidin-1-ylpropyl)-5,6,7,8-tetrahydroquinolin-8-amine;(8S)-N-([1]benzofuro[2,3-c]pyridin-3-ylmethyl)-N-(3-piperidin-1-ylpropyl)-5,6,7,8-tetrahydroquinolin-8-amine;2-[1-[[methyl-(2-propoxy-1-pyridin-2-ylethyl)amino]methyl]pyrido[3,4-b]indol-9-yl]-1-morpholin-4-ylethanone?
The IUPAC name of (8S)-N-([1]benzofuro[2,3-c]pyridin-1-ylmethyl)-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine;(8S)-N-([1]benzofuro[2,3-c]pyridin-3-ylmethyl)-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine;(8S)-N-([1]benzofuro[2,3-c]pyridin-1-ylmethyl)-N-(3-piperidin-1-ylpropyl)-5,6,7,8-tetrahydroquinolin-8-amine;(8S)-N-([1]benzofuro[2,3-c]pyridin-3-ylmethyl)-N-(3-piperidin-1-ylpropyl)-5,6,7,8-tetrahydroquinolin-8-amine;2-[1-[[methyl-(2-propoxy-1-pyridin-2-ylethyl)amino]methyl]pyrido[3,4-b]indol-9-yl]-1-morpholin-4-ylethanone (CID 159905479) is (8S)-N-([1]benzofuro[2,3-c]pyridin-1-ylmethyl)-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine;(8S)-N-([1]benzofuro[2,3-c]pyridin-3-ylmethyl)-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine;(8S)-N-([1]benzofuro[2,3-c]pyridin-1-ylmethyl)-N-(3-piperidin-1-ylpropyl)-5,6,7,8-tetrahydroquinolin-8-amine;(8S)-N-([1]benzofuro[2,3-c]pyridin-3-ylmethyl)-N-(3-piperidin-1-ylpropyl)-5,6,7,8-tetrahydroquinolin-8-amine;2-[1-[[methyl-(2-propoxy-1-pyridin-2-ylethyl)amino]methyl]pyrido[3,4-b]indol-9-yl]-1-morpholin-4-ylethanone.
What is the SMILES notation for (8S)-N-([1]benzofuro[2,3-c]pyridin-1-ylmethyl)-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine;(8S)-N-([1]benzofuro[2,3-c]pyridin-3-ylmethyl)-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine;(8S)-N-([1]benzofuro[2,3-c]pyridin-1-ylmethyl)-N-(3-piperidin-1-ylpropyl)-5,6,7,8-tetrahydroquinolin-8-amine;(8S)-N-([1]benzofuro[2,3-c]pyridin-3-ylmethyl)-N-(3-piperidin-1-ylpropyl)-5,6,7,8-tetrahydroquinolin-8-amine;2-[1-[[methyl-(2-propoxy-1-pyridin-2-ylethyl)amino]methyl]pyrido[3,4-b]indol-9-yl]-1-morpholin-4-ylethanone?
The canonical SMILES for (8S)-N-([1]benzofuro[2,3-c]pyridin-1-ylmethyl)-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine;(8S)-N-([1]benzofuro[2,3-c]pyridin-3-ylmethyl)-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine;(8S)-N-([1]benzofuro[2,3-c]pyridin-1-ylmethyl)-N-(3-piperidin-1-ylpropyl)-5,6,7,8-tetrahydroquinolin-8-amine;(8S)-N-([1]benzofuro[2,3-c]pyridin-3-ylmethyl)-N-(3-piperidin-1-ylpropyl)-5,6,7,8-tetrahydroquinolin-8-amine;2-[1-[[methyl-(2-propoxy-1-pyridin-2-ylethyl)amino]methyl]pyrido[3,4-b]indol-9-yl]-1-morpholin-4-ylethanone is CCCCCN(Cc1cc2c(cn1)oc1ccccc12)[C@H]1CCCc2cccnc21.CCCCCN(Cc1nccc2c1oc1ccccc12)[C@H]1CCCc2cccnc21.CCCOCC(c1ccccn1)N(C)Cc1nccc2c3ccccc3n(CC(=O)N3CCOCC3)c12.c1cnc2c(c1)CCC[C@@H]2N(CCCN1CCCCC1)Cc1cc2c(cn1)oc1ccccc12.c1cnc2c(c1)CCC[C@@H]2N(CCCN1CCCCC1)Cc1nccc2c1oc1ccccc12.
What is the InChIKey of (8S)-N-([1]benzofuro[2,3-c]pyridin-1-ylmethyl)-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine;(8S)-N-([1]benzofuro[2,3-c]pyridin-3-ylmethyl)-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine;(8S)-N-([1]benzofuro[2,3-c]pyridin-1-ylmethyl)-N-(3-piperidin-1-ylpropyl)-5,6,7,8-tetrahydroquinolin-8-amine;(8S)-N-([1]benzofuro[2,3-c]pyridin-3-ylmethyl)-N-(3-piperidin-1-ylpropyl)-5,6,7,8-tetrahydroquinolin-8-amine;2-[1-[[methyl-(2-propoxy-1-pyridin-2-ylethyl)amino]methyl]pyrido[3,4-b]indol-9-yl]-1-morpholin-4-ylethanone?
The InChIKey is NWNCLZNMIOXNDK-RTAPNTDRSA-N. The full InChI is InChI=1S/C29H35N5O3.2C29H34N4O.2C26H29N3O/c1-3-16-37-21-27(24-9-6-7-12-30-24)32(2)19-25-29-23(11-13-31-25)22-8-4-5-10-26(22)34(29)20-28(35)33-14-17-36-18-15-33;1-4-17-32(18-5-1)19-8-20-33(26-12-6-9-22-10-7-15-31-28(22)26)21-25-29-24(14-16-30-25)23-11-2-3-13-27(23)34-29;1-4-15-32(16-5-1)17-8-18-33(26-12-6-9-22-10-7-14-30-29(22)26)21-23-19-25-24-11-2-3-13-27(24)34-28(25)20-31-23;1-2-3-6-17-29(23-12-7-9-19-10-8-15-28-25(19)23)18-22-26-21(14-16-27-22)20-11-4-5-13-24(20)30-26;1-2-3-6-15-29(23-12-7-9-19-10-8-14-27-26(19)23)18-20-16-22-21-11-4-5-13-24(21)30-25(22)17-28-20/h4-13,27H,3,14-21H2,1-2H3;2-3,7,10-11,13-16,26H,1,4-6,8-9,12,17-21H2;2-3,7,10-11,13-14,19-20,26H,1,4-6,8-9,12,15-18,21H2;4-5,8,10-11,13-16,23H,2-3,6-7,9,12,17-18H2,1H3;4-5,8,10-11,13-14,16-17,23H,2-3,6-7,9,12,15,18H2,1H3/t;2*26-;2*23-/m.0000/s1.
What are the key properties of (8S)-N-([1]benzofuro[2,3-c]pyridin-1-ylmethyl)-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine;(8S)-N-([1]benzofuro[2,3-c]pyridin-3-ylmethyl)-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine;(8S)-N-([1]benzofuro[2,3-c]pyridin-1-ylmethyl)-N-(3-piperidin-1-ylpropyl)-5,6,7,8-tetrahydroquinolin-8-amine;(8S)-N-([1]benzofuro[2,3-c]pyridin-3-ylmethyl)-N-(3-piperidin-1-ylpropyl)-5,6,7,8-tetrahydroquinolin-8-amine;2-[1-[[methyl-(2-propoxy-1-pyridin-2-ylethyl)amino]methyl]pyrido[3,4-b]indol-9-yl]-1-morpholin-4-ylethanone?
(8S)-N-([1]benzofuro[2,3-c]pyridin-1-ylmethyl)-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine;(8S)-N-([1]benzofuro[2,3-c]pyridin-3-ylmethyl)-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine;(8S)-N-([1]benzofuro[2,3-c]pyridin-1-ylmethyl)-N-(3-piperidin-1-ylpropyl)-5,6,7,8-tetrahydroquinolin-8-amine;(8S)-N-([1]benzofuro[2,3-c]pyridin-3-ylmethyl)-N-(3-piperidin-1-ylpropyl)-5,6,7,8-tetrahydroquinolin-8-amine;2-[1-[[methyl-(2-propoxy-1-pyridin-2-ylethyl)amino]methyl]pyrido[3,4-b]indol-9-yl]-1-morpholin-4-ylethanone has a molecular weight of 2209.94 g/mol, XLogP of 29.20, 38 rotatable bonds, 0 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for (8S)-N-([1]benzofuro[2,3-c]pyridin-1-ylmethyl)-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine;(8S)-N-([1]benzofuro[2,3-c]pyridin-3-ylmethyl)-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine;(8S)-N-([1]benzofuro[2,3-c]pyridin-1-ylmethyl)-N-(3-piperidin-1-ylpropyl)-5,6,7,8-tetrahydroquinolin-8-amine;(8S)-N-([1]benzofuro[2,3-c]pyridin-3-ylmethyl)-N-(3-piperidin-1-ylpropyl)-5,6,7,8-tetrahydroquinolin-8-amine;2-[1-[[methyl-(2-propoxy-1-pyridin-2-ylethyl)amino]methyl]pyrido[3,4-b]indol-9-yl]-1-morpholin-4-ylethanone is sourced from PubChem (CID 159905479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).