4-chloro-N-[3-[1-ethyl-4-[2-(oxan-4-yl)ethyl]indol-2-yl]prop-2-ynyl]aniline;N-[3-[1-ethyl-4-[2-(oxan-4-yl)ethyl]indol-2-yl]prop-2-ynyl]aniline;N-[3-[1-ethyl-4-[2-(oxan-4-yl)ethyl]indol-2-yl]prop-2-ynyl]-4-fluoroaniline;N-[3-[1-ethyl-4-[2-(oxan-4-yl)ethyl]indol-2-yl]prop-2-ynyl]-4-methylaniline;N-[3-[1-ethyl-4-[2-(oxan-4-yl)ethyl]indol-2-yl]prop-2-ynyl]-2-methylpyridin-4-amine

C131H151ClFN11O5 — CID 157058275

About 4-chloro-N-[3-[1-ethyl-4-[2-(oxan-4-yl)ethyl]indol-2-yl]prop-2-ynyl]aniline;N-[3-[1-ethyl-4-[2-(oxan-4-yl)ethyl]indol-2-yl]prop-2-ynyl]aniline;N-[3-[1-ethyl-4-[2-(oxan-4-yl)ethyl]indol-2-yl]prop-2-ynyl]-4-fluoroaniline;N-[3-[1-ethyl-4-[2-(oxan-4-yl)ethyl]indol-2-yl]prop-2-ynyl]-4-methylaniline;N-[3-[1-ethyl-4-[2-(oxan-4-yl)ethyl]indol-2-yl]prop-2-ynyl]-2-methylpyridin-4-amine

4-chloro-N-[3-[1-ethyl-4-[2-(oxan-4-yl)ethyl]indol-2-yl]prop-2-ynyl]aniline;N-[3-[1-ethyl-4-[2-(oxan-4-yl)ethyl]indol-2-yl]prop-2-ynyl]aniline;N-[3-[1-ethyl-4-[2-(oxan-4-yl)ethyl]indol-2-yl]prop-2-ynyl]-4-fluoroaniline;N-[3-[1-ethyl-4-[2-(oxan-4-yl)ethyl]indol-2-yl]prop-2-ynyl]-4-methylaniline;N-[3-[1-ethyl-4-[2-(oxan-4-yl)ethyl]indol-2-yl]prop-2-ynyl]-2-methylpyridin-4-amine (PubChem CID 157058275) has the molecular formula C131H151ClFN11O5 and a molecular weight of 2014.17 g/mol. Its IUPAC name is 4-chloro-N-[3-[1-ethyl-4-[2-(oxan-4-yl)ethyl]indol-2-yl]prop-2-ynyl]aniline;N-[3-[1-ethyl-4-[2-(oxan-4-yl)ethyl]indol-2-yl]prop-2-ynyl]aniline;N-[3-[1-ethyl-4-[2-(oxan-4-yl)ethyl]indol-2-yl]prop-2-ynyl]-4-fluoroaniline;N-[3-[1-ethyl-4-[2-(oxan-4-yl)ethyl]indol-2-yl]prop-2-ynyl]-4-methylaniline;N-[3-[1-ethyl-4-[2-(oxan-4-yl)ethyl]indol-2-yl]prop-2-ynyl]-2-methylpyridin-4-amine.

Molecular Properties

• Compound Name: 4-chloro-N-[3-[1-ethyl-4-[2-(oxan-4-yl)ethyl]indol-2-yl]prop-2-ynyl]aniline;N-[3-[1-ethyl-4-[2-(oxan-4-yl)ethyl]indol-2-yl]prop-2-ynyl]aniline;N-[3-[1-ethyl-4-[2-(oxan-4-yl)ethyl]indol-2-yl]prop-2-ynyl]-4-fluoroaniline;N-[3-[1-ethyl-4-[2-(oxan-4-yl)ethyl]indol-2-yl]prop-2-ynyl]-4-methylaniline;N-[3-[1-ethyl-4-[2-(oxan-4-yl)ethyl]indol-2-yl]prop-2-ynyl]-2-methylpyridin-4-amine
• PubChem CID: 157058275
• Molecular Formula: C131H151ClFN11O5
• Molecular Weight: 2014.17 g/mol
• Exact Mass: 2012.16
• IUPAC Name: 4-chloro-N-[3-[1-ethyl-4-[2-(oxan-4-yl)ethyl]indol-2-yl]prop-2-ynyl]aniline;N-[3-[1-ethyl-4-[2-(oxan-4-yl)ethyl]indol-2-yl]prop-2-ynyl]aniline;N-[3-[1-ethyl-4-[2-(oxan-4-yl)ethyl]indol-2-yl]prop-2-ynyl]-4-fluoroaniline;N-[3-[1-ethyl-4-[2-(oxan-4-yl)ethyl]indol-2-yl]prop-2-ynyl]-4-methylaniline;N-[3-[1-ethyl-4-[2-(oxan-4-yl)ethyl]indol-2-yl]prop-2-ynyl]-2-methylpyridin-4-amine
• SMILES: CCn1c(C#CCNc2ccc(C)cc2)cc2c(CCC3CCOCC3)cccc21.CCn1c(C#CCNc2ccc(Cl)cc2)cc2c(CCC3CCOCC3)cccc21.CCn1c(C#CCNc2ccc(F)cc2)cc2c(CCC3CCOCC3)cccc21.CCn1c(C#CCNc2ccccc2)cc2c(CCC3CCOCC3)cccc21.CCn1c(C#CCNc2ccnc(C)c2)cc2c(CCC3CCOCC3)cccc21
• InChI: InChI=1S/C27H32N2O.C26H29ClN2O.C26H29FN2O.C26H31N3O.C26H30N2O/c1-3-29-25(7-5-17-28-24-13-9-21(2)10-14-24)20-26-23(6-4-8-27(26)29)12-11-22-15-18-30-19-16-22;2*1-2-29-24(6-4-16-28-23-12-10-22(27)11-13-23)19-25-21(5-3-7-26(25)29)9-8-20-14-17-30-18-15-20;1-3-29-24(7-5-14-28-23-11-15-27-20(2)18-23)19-25-22(6-4-8-26(25)29)10-9-21-12-16-30-17-13-21;1-2-28-24(11-7-17-27-23-9-4-3-5-10-23)20-25-22(8-6-12-26(25)28)14-13-21-15-18-29-19-16-21/h4,6,8-10,13-14,20,22,28H,3,11-12,15-19H2,1-2H3;2*3,5,7,10-13,19-20,28H,2,8-9,14-18H2,1H3;4,6,8,11,15,18-19,21H,3,9-10,12-14,16-17H2,1-2H3,(H,27,28);3-6,8-10,12,20-21,27H,2,13-19H2,1H3
• InChIKey: AAZYRGKUBCHQFD-UHFFFAOYSA-N
• XLogP: 28.22
• TPSA: 143.84 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 16
• Rotatable Bonds: 30
• Heavy Atoms: 149
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2014.17
LogP ≤ 5	28.22
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[3-[1-ethyl-4-[2-(oxan-4-yl)ethyl]indol-2-yl]prop-2-ynyl]aniline;N-[3-[1-ethyl-4-[2-(oxan-4-yl)ethyl]indol-2-yl]prop-2-ynyl]aniline;N-[3-[1-ethyl-4-[2-(oxan-4-yl)ethyl]indol-2-yl]prop-2-ynyl]-4-fluoroaniline;N-[3-[1-ethyl-4-[2-(oxan-4-yl)ethyl]indol-2-yl]prop-2-ynyl]-4-methylaniline;N-[3-[1-ethyl-4-[2-(oxan-4-yl)ethyl]indol-2-yl]prop-2-ynyl]-2-methylpyridin-4-amine?

The IUPAC name of 4-chloro-N-[3-[1-ethyl-4-[2-(oxan-4-yl)ethyl]indol-2-yl]prop-2-ynyl]aniline;N-[3-[1-ethyl-4-[2-(oxan-4-yl)ethyl]indol-2-yl]prop-2-ynyl]aniline;N-[3-[1-ethyl-4-[2-(oxan-4-yl)ethyl]indol-2-yl]prop-2-ynyl]-4-fluoroaniline;N-[3-[1-ethyl-4-[2-(oxan-4-yl)ethyl]indol-2-yl]prop-2-ynyl]-4-methylaniline;N-[3-[1-ethyl-4-[2-(oxan-4-yl)ethyl]indol-2-yl]prop-2-ynyl]-2-methylpyridin-4-amine (CID 157058275) is 4-chloro-N-[3-[1-ethyl-4-[2-(oxan-4-yl)ethyl]indol-2-yl]prop-2-ynyl]aniline;N-[3-[1-ethyl-4-[2-(oxan-4-yl)ethyl]indol-2-yl]prop-2-ynyl]aniline;N-[3-[1-ethyl-4-[2-(oxan-4-yl)ethyl]indol-2-yl]prop-2-ynyl]-4-fluoroaniline;N-[3-[1-ethyl-4-[2-(oxan-4-yl)ethyl]indol-2-yl]prop-2-ynyl]-4-methylaniline;N-[3-[1-ethyl-4-[2-(oxan-4-yl)ethyl]indol-2-yl]prop-2-ynyl]-2-methylpyridin-4-amine.

What is the SMILES notation for 4-chloro-N-[3-[1-ethyl-4-[2-(oxan-4-yl)ethyl]indol-2-yl]prop-2-ynyl]aniline;N-[3-[1-ethyl-4-[2-(oxan-4-yl)ethyl]indol-2-yl]prop-2-ynyl]aniline;N-[3-[1-ethyl-4-[2-(oxan-4-yl)ethyl]indol-2-yl]prop-2-ynyl]-4-fluoroaniline;N-[3-[1-ethyl-4-[2-(oxan-4-yl)ethyl]indol-2-yl]prop-2-ynyl]-4-methylaniline;N-[3-[1-ethyl-4-[2-(oxan-4-yl)ethyl]indol-2-yl]prop-2-ynyl]-2-methylpyridin-4-amine?

The canonical SMILES for 4-chloro-N-[3-[1-ethyl-4-[2-(oxan-4-yl)ethyl]indol-2-yl]prop-2-ynyl]aniline;N-[3-[1-ethyl-4-[2-(oxan-4-yl)ethyl]indol-2-yl]prop-2-ynyl]aniline;N-[3-[1-ethyl-4-[2-(oxan-4-yl)ethyl]indol-2-yl]prop-2-ynyl]-4-fluoroaniline;N-[3-[1-ethyl-4-[2-(oxan-4-yl)ethyl]indol-2-yl]prop-2-ynyl]-4-methylaniline;N-[3-[1-ethyl-4-[2-(oxan-4-yl)ethyl]indol-2-yl]prop-2-ynyl]-2-methylpyridin-4-amine is CCn1c(C#CCNc2ccc(C)cc2)cc2c(CCC3CCOCC3)cccc21.CCn1c(C#CCNc2ccc(Cl)cc2)cc2c(CCC3CCOCC3)cccc21.CCn1c(C#CCNc2ccc(F)cc2)cc2c(CCC3CCOCC3)cccc21.CCn1c(C#CCNc2ccccc2)cc2c(CCC3CCOCC3)cccc21.CCn1c(C#CCNc2ccnc(C)c2)cc2c(CCC3CCOCC3)cccc21.

What is the InChIKey of 4-chloro-N-[3-[1-ethyl-4-[2-(oxan-4-yl)ethyl]indol-2-yl]prop-2-ynyl]aniline;N-[3-[1-ethyl-4-[2-(oxan-4-yl)ethyl]indol-2-yl]prop-2-ynyl]aniline;N-[3-[1-ethyl-4-[2-(oxan-4-yl)ethyl]indol-2-yl]prop-2-ynyl]-4-fluoroaniline;N-[3-[1-ethyl-4-[2-(oxan-4-yl)ethyl]indol-2-yl]prop-2-ynyl]-4-methylaniline;N-[3-[1-ethyl-4-[2-(oxan-4-yl)ethyl]indol-2-yl]prop-2-ynyl]-2-methylpyridin-4-amine?

The InChIKey is AAZYRGKUBCHQFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N2O.C26H29ClN2O.C26H29FN2O.C26H31N3O.C26H30N2O/c1-3-29-25(7-5-17-28-24-13-9-21(2)10-14-24)20-26-23(6-4-8-27(26)29)12-11-22-15-18-30-19-16-22;2*1-2-29-24(6-4-16-28-23-12-10-22(27)11-13-23)19-25-21(5-3-7-26(25)29)9-8-20-14-17-30-18-15-20;1-3-29-24(7-5-14-28-23-11-15-27-20(2)18-23)19-25-22(6-4-8-26(25)29)10-9-21-12-16-30-17-13-21;1-2-28-24(11-7-17-27-23-9-4-3-5-10-23)20-25-22(8-6-12-26(25)28)14-13-21-15-18-29-19-16-21/h4,6,8-10,13-14,20,22,28H,3,11-12,15-19H2,1-2H3;2*3,5,7,10-13,19-20,28H,2,8-9,14-18H2,1H3;4,6,8,11,15,18-19,21H,3,9-10,12-14,16-17H2,1-2H3,(H,27,28);3-6,8-10,12,20-21,27H,2,13-19H2,1H3.

What are the key properties of 4-chloro-N-[3-[1-ethyl-4-[2-(oxan-4-yl)ethyl]indol-2-yl]prop-2-ynyl]aniline;N-[3-[1-ethyl-4-[2-(oxan-4-yl)ethyl]indol-2-yl]prop-2-ynyl]aniline;N-[3-[1-ethyl-4-[2-(oxan-4-yl)ethyl]indol-2-yl]prop-2-ynyl]-4-fluoroaniline;N-[3-[1-ethyl-4-[2-(oxan-4-yl)ethyl]indol-2-yl]prop-2-ynyl]-4-methylaniline;N-[3-[1-ethyl-4-[2-(oxan-4-yl)ethyl]indol-2-yl]prop-2-ynyl]-2-methylpyridin-4-amine?

4-chloro-N-[3-[1-ethyl-4-[2-(oxan-4-yl)ethyl]indol-2-yl]prop-2-ynyl]aniline;N-[3-[1-ethyl-4-[2-(oxan-4-yl)ethyl]indol-2-yl]prop-2-ynyl]aniline;N-[3-[1-ethyl-4-[2-(oxan-4-yl)ethyl]indol-2-yl]prop-2-ynyl]-4-fluoroaniline;N-[3-[1-ethyl-4-[2-(oxan-4-yl)ethyl]indol-2-yl]prop-2-ynyl]-4-methylaniline;N-[3-[1-ethyl-4-[2-(oxan-4-yl)ethyl]indol-2-yl]prop-2-ynyl]-2-methylpyridin-4-amine has a molecular weight of 2014.17 g/mol, XLogP of 28.22, 30 rotatable bonds, 5 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 4-chloro-N-[3-[1-ethyl-4-[2-(oxan-4-yl)ethyl]indol-2-yl]prop-2-ynyl]aniline;N-[3-[1-ethyl-4-[2-(oxan-4-yl)ethyl]indol-2-yl]prop-2-ynyl]aniline;N-[3-[1-ethyl-4-[2-(oxan-4-yl)ethyl]indol-2-yl]prop-2-ynyl]-4-fluoroaniline;N-[3-[1-ethyl-4-[2-(oxan-4-yl)ethyl]indol-2-yl]prop-2-ynyl]-4-methylaniline;N-[3-[1-ethyl-4-[2-(oxan-4-yl)ethyl]indol-2-yl]prop-2-ynyl]-2-methylpyridin-4-amine is sourced from PubChem (CID 157058275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).