[4-[3-ethoxy-4-[2-(6-methoxy-1H-indol-3-yl)ethylamino]anilino]-2-pyridinyl]methanol;(7S)-4-[4-[2-(1H-indol-3-yl)ethylamino]anilino]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-ol;4-[4-[2-(1H-indol-3-yl)ethylamino]anilino]-5,6,7,8-tetrahydroquinolin-8-ol;1-N-[2-(1H-indol-3-yl)ethyl]-4-N-(8-methoxyquinolin-4-yl)benzene-1,4-diamine;1-N-[2-(1H-indol-3-yl)ethyl]-4-N-(5,6,7,8-tetrahydroquinolin-4-yl)benzene-1,4-diamine

C125H128N20O6 — CID 159027719

About [4-[3-ethoxy-4-[2-(6-methoxy-1H-indol-3-yl)ethylamino]anilino]-2-pyridinyl]methanol;(7S)-4-[4-[2-(1H-indol-3-yl)ethylamino]anilino]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-ol;4-[4-[2-(1H-indol-3-yl)ethylamino]anilino]-5,6,7,8-tetrahydroquinolin-8-ol;1-N-[2-(1H-indol-3-yl)ethyl]-4-N-(8-methoxyquinolin-4-yl)benzene-1,4-diamine;1-N-[2-(1H-indol-3-yl)ethyl]-4-N-(5,6,7,8-tetrahydroquinolin-4-yl)benzene-1,4-diamine

[4-[3-ethoxy-4-[2-(6-methoxy-1H-indol-3-yl)ethylamino]anilino]-2-pyridinyl]methanol;(7S)-4-[4-[2-(1H-indol-3-yl)ethylamino]anilino]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-ol;4-[4-[2-(1H-indol-3-yl)ethylamino]anilino]-5,6,7,8-tetrahydroquinolin-8-ol;1-N-[2-(1H-indol-3-yl)ethyl]-4-N-(8-methoxyquinolin-4-yl)benzene-1,4-diamine;1-N-[2-(1H-indol-3-yl)ethyl]-4-N-(5,6,7,8-tetrahydroquinolin-4-yl)benzene-1,4-diamine (PubChem CID 159027719) has the molecular formula C125H128N20O6 and a molecular weight of 2006.53 g/mol. Its IUPAC name is [4-[3-ethoxy-4-[2-(6-methoxy-1H-indol-3-yl)ethylamino]anilino]-2-pyridinyl]methanol;(7S)-4-[4-[2-(1H-indol-3-yl)ethylamino]anilino]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-ol;4-[4-[2-(1H-indol-3-yl)ethylamino]anilino]-5,6,7,8-tetrahydroquinolin-8-ol;1-N-[2-(1H-indol-3-yl)ethyl]-4-N-(8-methoxyquinolin-4-yl)benzene-1,4-diamine;1-N-[2-(1H-indol-3-yl)ethyl]-4-N-(5,6,7,8-tetrahydroquinolin-4-yl)benzene-1,4-diamine.

Molecular Properties

• Compound Name: [4-[3-ethoxy-4-[2-(6-methoxy-1H-indol-3-yl)ethylamino]anilino]-2-pyridinyl]methanol;(7S)-4-[4-[2-(1H-indol-3-yl)ethylamino]anilino]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-ol;4-[4-[2-(1H-indol-3-yl)ethylamino]anilino]-5,6,7,8-tetrahydroquinolin-8-ol;1-N-[2-(1H-indol-3-yl)ethyl]-4-N-(8-methoxyquinolin-4-yl)benzene-1,4-diamine;1-N-[2-(1H-indol-3-yl)ethyl]-4-N-(5,6,7,8-tetrahydroquinolin-4-yl)benzene-1,4-diamine
• PubChem CID: 159027719
• Molecular Formula: C125H128N20O6
• Molecular Weight: 2006.53 g/mol
• Exact Mass: 2005.03
• IUPAC Name: [4-[3-ethoxy-4-[2-(6-methoxy-1H-indol-3-yl)ethylamino]anilino]-2-pyridinyl]methanol;(7S)-4-[4-[2-(1H-indol-3-yl)ethylamino]anilino]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-ol;4-[4-[2-(1H-indol-3-yl)ethylamino]anilino]-5,6,7,8-tetrahydroquinolin-8-ol;1-N-[2-(1H-indol-3-yl)ethyl]-4-N-(8-methoxyquinolin-4-yl)benzene-1,4-diamine;1-N-[2-(1H-indol-3-yl)ethyl]-4-N-(5,6,7,8-tetrahydroquinolin-4-yl)benzene-1,4-diamine
• SMILES: CCOc1cc(Nc2ccnc(CO)c2)ccc1NCCc1c[nH]c2cc(OC)ccc12.COc1cccc2c(Nc3ccc(NCCc4c[nH]c5ccccc45)cc3)ccnc12.OC1CCCc2c(Nc3ccc(NCCc4c[nH]c5ccccc45)cc3)ccnc21.O[C@H]1CCc2c(Nc3ccc(NCCc4c[nH]c5ccccc45)cc3)ccnc21.c1ccc2c(CCNc3ccc(Nc4ccnc5c4CCCC5)cc3)c[nH]c2c1
• InChI: InChI=1S/C26H24N4O.C25H28N4O3.C25H26N4O.C25H26N4.C24H24N4O/c1-31-25-8-4-6-22-24(14-16-28-26(22)25)30-20-11-9-19(10-12-20)27-15-13-18-17-29-23-7-3-2-5-21(18)23;1-3-32-25-13-18(29-19-9-11-26-20(12-19)16-30)4-7-23(25)27-10-8-17-15-28-24-14-21(31-2)5-6-22(17)24;30-24-7-3-5-21-23(13-15-27-25(21)24)29-19-10-8-18(9-11-19)26-14-12-17-16-28-22-6-2-1-4-20(17)22;1-3-7-23-21(5-1)18(17-28-23)13-15-26-19-9-11-20(12-10-19)29-25-14-16-27-24-8-4-2-6-22(24)25;29-23-10-9-20-22(12-14-26-24(20)23)28-18-7-5-17(6-8-18)25-13-11-16-15-27-21-4-2-1-3-19(16)21/h2-12,14,16-17,27,29H,13,15H2,1H3,(H,28,30);4-7,9,11-15,27-28,30H,3,8,10,16H2,1-2H3,(H,26,29);1-2,4,6,8-11,13,15-16,24,26,28,30H,3,5,7,12,14H2,(H,27,29);1,3,5,7,9-12,14,16-17,26,28H,2,4,6,8,13,15H2,(H,27,29);1-8,12,14-15,23,25,27,29H,9-11,13H2,(H,26,28)/t;;;;23-/m....0/s1
• InChIKey: JUMFXRVEUDMYOI-AKYLTSNRSA-N
• XLogP: 27.09
• TPSA: 352.08 Ų
• H-Bond Donors: 18
• H-Bond Acceptors: 21
• Rotatable Bonds: 35
• Heavy Atoms: 151
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2006.53
LogP ≤ 5	27.09
H-Bond Donors ≤ 5	18
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_NH_alk_B(3)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [4-[3-ethoxy-4-[2-(6-methoxy-1H-indol-3-yl)ethylamino]anilino]-2-pyridinyl]methanol;(7S)-4-[4-[2-(1H-indol-3-yl)ethylamino]anilino]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-ol;4-[4-[2-(1H-indol-3-yl)ethylamino]anilino]-5,6,7,8-tetrahydroquinolin-8-ol;1-N-[2-(1H-indol-3-yl)ethyl]-4-N-(8-methoxyquinolin-4-yl)benzene-1,4-diamine;1-N-[2-(1H-indol-3-yl)ethyl]-4-N-(5,6,7,8-tetrahydroquinolin-4-yl)benzene-1,4-diamine?

The IUPAC name of [4-[3-ethoxy-4-[2-(6-methoxy-1H-indol-3-yl)ethylamino]anilino]-2-pyridinyl]methanol;(7S)-4-[4-[2-(1H-indol-3-yl)ethylamino]anilino]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-ol;4-[4-[2-(1H-indol-3-yl)ethylamino]anilino]-5,6,7,8-tetrahydroquinolin-8-ol;1-N-[2-(1H-indol-3-yl)ethyl]-4-N-(8-methoxyquinolin-4-yl)benzene-1,4-diamine;1-N-[2-(1H-indol-3-yl)ethyl]-4-N-(5,6,7,8-tetrahydroquinolin-4-yl)benzene-1,4-diamine (CID 159027719) is [4-[3-ethoxy-4-[2-(6-methoxy-1H-indol-3-yl)ethylamino]anilino]-2-pyridinyl]methanol;(7S)-4-[4-[2-(1H-indol-3-yl)ethylamino]anilino]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-ol;4-[4-[2-(1H-indol-3-yl)ethylamino]anilino]-5,6,7,8-tetrahydroquinolin-8-ol;1-N-[2-(1H-indol-3-yl)ethyl]-4-N-(8-methoxyquinolin-4-yl)benzene-1,4-diamine;1-N-[2-(1H-indol-3-yl)ethyl]-4-N-(5,6,7,8-tetrahydroquinolin-4-yl)benzene-1,4-diamine.

What is the SMILES notation for [4-[3-ethoxy-4-[2-(6-methoxy-1H-indol-3-yl)ethylamino]anilino]-2-pyridinyl]methanol;(7S)-4-[4-[2-(1H-indol-3-yl)ethylamino]anilino]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-ol;4-[4-[2-(1H-indol-3-yl)ethylamino]anilino]-5,6,7,8-tetrahydroquinolin-8-ol;1-N-[2-(1H-indol-3-yl)ethyl]-4-N-(8-methoxyquinolin-4-yl)benzene-1,4-diamine;1-N-[2-(1H-indol-3-yl)ethyl]-4-N-(5,6,7,8-tetrahydroquinolin-4-yl)benzene-1,4-diamine?

The canonical SMILES for [4-[3-ethoxy-4-[2-(6-methoxy-1H-indol-3-yl)ethylamino]anilino]-2-pyridinyl]methanol;(7S)-4-[4-[2-(1H-indol-3-yl)ethylamino]anilino]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-ol;4-[4-[2-(1H-indol-3-yl)ethylamino]anilino]-5,6,7,8-tetrahydroquinolin-8-ol;1-N-[2-(1H-indol-3-yl)ethyl]-4-N-(8-methoxyquinolin-4-yl)benzene-1,4-diamine;1-N-[2-(1H-indol-3-yl)ethyl]-4-N-(5,6,7,8-tetrahydroquinolin-4-yl)benzene-1,4-diamine is CCOc1cc(Nc2ccnc(CO)c2)ccc1NCCc1c[nH]c2cc(OC)ccc12.COc1cccc2c(Nc3ccc(NCCc4c[nH]c5ccccc45)cc3)ccnc12.OC1CCCc2c(Nc3ccc(NCCc4c[nH]c5ccccc45)cc3)ccnc21.O[C@H]1CCc2c(Nc3ccc(NCCc4c[nH]c5ccccc45)cc3)ccnc21.c1ccc2c(CCNc3ccc(Nc4ccnc5c4CCCC5)cc3)c[nH]c2c1.

What is the InChIKey of [4-[3-ethoxy-4-[2-(6-methoxy-1H-indol-3-yl)ethylamino]anilino]-2-pyridinyl]methanol;(7S)-4-[4-[2-(1H-indol-3-yl)ethylamino]anilino]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-ol;4-[4-[2-(1H-indol-3-yl)ethylamino]anilino]-5,6,7,8-tetrahydroquinolin-8-ol;1-N-[2-(1H-indol-3-yl)ethyl]-4-N-(8-methoxyquinolin-4-yl)benzene-1,4-diamine;1-N-[2-(1H-indol-3-yl)ethyl]-4-N-(5,6,7,8-tetrahydroquinolin-4-yl)benzene-1,4-diamine?

The InChIKey is JUMFXRVEUDMYOI-AKYLTSNRSA-N. The full InChI is InChI=1S/C26H24N4O.C25H28N4O3.C25H26N4O.C25H26N4.C24H24N4O/c1-31-25-8-4-6-22-24(14-16-28-26(22)25)30-20-11-9-19(10-12-20)27-15-13-18-17-29-23-7-3-2-5-21(18)23;1-3-32-25-13-18(29-19-9-11-26-20(12-19)16-30)4-7-23(25)27-10-8-17-15-28-24-14-21(31-2)5-6-22(17)24;30-24-7-3-5-21-23(13-15-27-25(21)24)29-19-10-8-18(9-11-19)26-14-12-17-16-28-22-6-2-1-4-20(17)22;1-3-7-23-21(5-1)18(17-28-23)13-15-26-19-9-11-20(12-10-19)29-25-14-16-27-24-8-4-2-6-22(24)25;29-23-10-9-20-22(12-14-26-24(20)23)28-18-7-5-17(6-8-18)25-13-11-16-15-27-21-4-2-1-3-19(16)21/h2-12,14,16-17,27,29H,13,15H2,1H3,(H,28,30);4-7,9,11-15,27-28,30H,3,8,10,16H2,1-2H3,(H,26,29);1-2,4,6,8-11,13,15-16,24,26,28,30H,3,5,7,12,14H2,(H,27,29);1,3,5,7,9-12,14,16-17,26,28H,2,4,6,8,13,15H2,(H,27,29);1-8,12,14-15,23,25,27,29H,9-11,13H2,(H,26,28)/t;;;;23-/m....0/s1.

What are the key properties of [4-[3-ethoxy-4-[2-(6-methoxy-1H-indol-3-yl)ethylamino]anilino]-2-pyridinyl]methanol;(7S)-4-[4-[2-(1H-indol-3-yl)ethylamino]anilino]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-ol;4-[4-[2-(1H-indol-3-yl)ethylamino]anilino]-5,6,7,8-tetrahydroquinolin-8-ol;1-N-[2-(1H-indol-3-yl)ethyl]-4-N-(8-methoxyquinolin-4-yl)benzene-1,4-diamine;1-N-[2-(1H-indol-3-yl)ethyl]-4-N-(5,6,7,8-tetrahydroquinolin-4-yl)benzene-1,4-diamine?

[4-[3-ethoxy-4-[2-(6-methoxy-1H-indol-3-yl)ethylamino]anilino]-2-pyridinyl]methanol;(7S)-4-[4-[2-(1H-indol-3-yl)ethylamino]anilino]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-ol;4-[4-[2-(1H-indol-3-yl)ethylamino]anilino]-5,6,7,8-tetrahydroquinolin-8-ol;1-N-[2-(1H-indol-3-yl)ethyl]-4-N-(8-methoxyquinolin-4-yl)benzene-1,4-diamine;1-N-[2-(1H-indol-3-yl)ethyl]-4-N-(5,6,7,8-tetrahydroquinolin-4-yl)benzene-1,4-diamine has a molecular weight of 2006.53 g/mol, XLogP of 27.09, 35 rotatable bonds, 18 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[3-ethoxy-4-[2-(6-methoxy-1H-indol-3-yl)ethylamino]anilino]-2-pyridinyl]methanol;(7S)-4-[4-[2-(1H-indol-3-yl)ethylamino]anilino]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-ol;4-[4-[2-(1H-indol-3-yl)ethylamino]anilino]-5,6,7,8-tetrahydroquinolin-8-ol;1-N-[2-(1H-indol-3-yl)ethyl]-4-N-(8-methoxyquinolin-4-yl)benzene-1,4-diamine;1-N-[2-(1H-indol-3-yl)ethyl]-4-N-(5,6,7,8-tetrahydroquinolin-4-yl)benzene-1,4-diamine is sourced from PubChem (CID 159027719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).