(4-chlorophenyl) 6-chloro-1-[4-[2-hydroxy-3-(4-methylpiperazin-1-yl)propoxy]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;(4-chlorophenyl) 6-chloro-1-[4-[2-hydroxy-3-(triazol-1-yl)propoxy]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;methyl 6-chloro-1-[4-[(1-methylpiperidin-3-yl)methoxy]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;propan-2-yl 6-chloro-1-[4-[(1-methylpiperidin-3-yl)methoxy]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate

C115H123Cl6N15O14 — CID 157260806

About (4-chlorophenyl) 6-chloro-1-[4-[2-hydroxy-3-(4-methylpiperazin-1-yl)propoxy]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;(4-chlorophenyl) 6-chloro-1-[4-[2-hydroxy-3-(triazol-1-yl)propoxy]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;methyl 6-chloro-1-[4-[(1-methylpiperidin-3-yl)methoxy]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;propan-2-yl 6-chloro-1-[4-[(1-methylpiperidin-3-yl)methoxy]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate

(4-chlorophenyl) 6-chloro-1-[4-[2-hydroxy-3-(4-methylpiperazin-1-yl)propoxy]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;(4-chlorophenyl) 6-chloro-1-[4-[2-hydroxy-3-(triazol-1-yl)propoxy]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;methyl 6-chloro-1-[4-[(1-methylpiperidin-3-yl)methoxy]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;propan-2-yl 6-chloro-1-[4-[(1-methylpiperidin-3-yl)methoxy]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate (PubChem CID 157260806) has the molecular formula C115H123Cl6N15O14 and a molecular weight of 2152.06 g/mol. Its IUPAC name is (4-chlorophenyl) 6-chloro-1-[4-[2-hydroxy-3-(4-methylpiperazin-1-yl)propoxy]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;(4-chlorophenyl) 6-chloro-1-[4-[2-hydroxy-3-(triazol-1-yl)propoxy]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;methyl 6-chloro-1-[4-[(1-methylpiperidin-3-yl)methoxy]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;propan-2-yl 6-chloro-1-[4-[(1-methylpiperidin-3-yl)methoxy]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate.

Molecular Properties

• Compound Name: (4-chlorophenyl) 6-chloro-1-[4-[2-hydroxy-3-(4-methylpiperazin-1-yl)propoxy]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;(4-chlorophenyl) 6-chloro-1-[4-[2-hydroxy-3-(triazol-1-yl)propoxy]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;methyl 6-chloro-1-[4-[(1-methylpiperidin-3-yl)methoxy]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;propan-2-yl 6-chloro-1-[4-[(1-methylpiperidin-3-yl)methoxy]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate
• PubChem CID: 157260806
• Molecular Formula: C115H123Cl6N15O14
• Molecular Weight: 2152.06 g/mol
• Exact Mass: 2147.75
• IUPAC Name: (4-chlorophenyl) 6-chloro-1-[4-[2-hydroxy-3-(4-methylpiperazin-1-yl)propoxy]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;(4-chlorophenyl) 6-chloro-1-[4-[2-hydroxy-3-(triazol-1-yl)propoxy]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;methyl 6-chloro-1-[4-[(1-methylpiperidin-3-yl)methoxy]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;propan-2-yl 6-chloro-1-[4-[(1-methylpiperidin-3-yl)methoxy]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate
• SMILES: CC(C)OC(=O)N1CCc2c([nH]c3ccc(Cl)cc23)C1c1ccc(OCC2CCCN(C)C2)cc1.CN1CCN(CC(O)COc2ccc(C3c4[nH]c5ccc(Cl)cc5c4CCN3C(=O)Oc3ccc(Cl)cc3)cc2)CC1.COC(=O)N1CCc2c([nH]c3ccc(Cl)cc23)C1c1ccc(OCC2CCCN(C)C2)cc1.O=C(Oc1ccc(Cl)cc1)N1CCc2c([nH]c3ccc(Cl)cc23)C1c1ccc(OCC(O)Cn2ccnn2)cc1
• InChI: InChI=1S/C32H34Cl2N4O4.C29H25Cl2N5O4.C28H34ClN3O3.C26H30ClN3O3/c1-36-14-16-37(17-15-36)19-24(39)20-41-25-7-2-21(3-8-25)31-30-27(28-18-23(34)6-11-29(28)35-30)12-13-38(31)32(40)42-26-9-4-22(33)5-10-26;30-19-3-8-23(9-4-19)40-29(38)36-13-11-24-25-15-20(31)5-10-26(25)33-27(24)28(36)18-1-6-22(7-2-18)39-17-21(37)16-35-14-12-32-34-35;1-18(2)35-28(33)32-14-12-23-24-15-21(29)8-11-25(24)30-26(23)27(32)20-6-9-22(10-7-20)34-17-19-5-4-13-31(3)16-19;1-29-12-3-4-17(15-29)16-33-20-8-5-18(6-9-20)25-24-21(11-13-30(25)26(31)32-2)22-14-19(27)7-10-23(22)28-24/h2-11,18,24,31,35,39H,12-17,19-20H2,1H3;1-10,12,14-15,21,28,33,37H,11,13,16-17H2;6-11,15,18-19,27,30H,4-5,12-14,16-17H2,1-3H3;5-10,14,17,25,28H,3-4,11-13,15-16H2,1-2H3
• InChIKey: AXKWXOYCCZJZFF-UHFFFAOYSA-N
• XLogP: 22.55
• TPSA: 302.37 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 21
• Rotatable Bonds: 23
• Heavy Atoms: 150
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2152.06
LogP ≤ 5	22.55
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl) 6-chloro-1-[4-[2-hydroxy-3-(4-methylpiperazin-1-yl)propoxy]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;(4-chlorophenyl) 6-chloro-1-[4-[2-hydroxy-3-(triazol-1-yl)propoxy]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;methyl 6-chloro-1-[4-[(1-methylpiperidin-3-yl)methoxy]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;propan-2-yl 6-chloro-1-[4-[(1-methylpiperidin-3-yl)methoxy]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate?

The IUPAC name of (4-chlorophenyl) 6-chloro-1-[4-[2-hydroxy-3-(4-methylpiperazin-1-yl)propoxy]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;(4-chlorophenyl) 6-chloro-1-[4-[2-hydroxy-3-(triazol-1-yl)propoxy]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;methyl 6-chloro-1-[4-[(1-methylpiperidin-3-yl)methoxy]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;propan-2-yl 6-chloro-1-[4-[(1-methylpiperidin-3-yl)methoxy]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate (CID 157260806) is (4-chlorophenyl) 6-chloro-1-[4-[2-hydroxy-3-(4-methylpiperazin-1-yl)propoxy]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;(4-chlorophenyl) 6-chloro-1-[4-[2-hydroxy-3-(triazol-1-yl)propoxy]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;methyl 6-chloro-1-[4-[(1-methylpiperidin-3-yl)methoxy]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;propan-2-yl 6-chloro-1-[4-[(1-methylpiperidin-3-yl)methoxy]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate.

What is the SMILES notation for (4-chlorophenyl) 6-chloro-1-[4-[2-hydroxy-3-(4-methylpiperazin-1-yl)propoxy]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;(4-chlorophenyl) 6-chloro-1-[4-[2-hydroxy-3-(triazol-1-yl)propoxy]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;methyl 6-chloro-1-[4-[(1-methylpiperidin-3-yl)methoxy]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;propan-2-yl 6-chloro-1-[4-[(1-methylpiperidin-3-yl)methoxy]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate?

The canonical SMILES for (4-chlorophenyl) 6-chloro-1-[4-[2-hydroxy-3-(4-methylpiperazin-1-yl)propoxy]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;(4-chlorophenyl) 6-chloro-1-[4-[2-hydroxy-3-(triazol-1-yl)propoxy]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;methyl 6-chloro-1-[4-[(1-methylpiperidin-3-yl)methoxy]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;propan-2-yl 6-chloro-1-[4-[(1-methylpiperidin-3-yl)methoxy]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate is CC(C)OC(=O)N1CCc2c([nH]c3ccc(Cl)cc23)C1c1ccc(OCC2CCCN(C)C2)cc1.CN1CCN(CC(O)COc2ccc(C3c4[nH]c5ccc(Cl)cc5c4CCN3C(=O)Oc3ccc(Cl)cc3)cc2)CC1.COC(=O)N1CCc2c([nH]c3ccc(Cl)cc23)C1c1ccc(OCC2CCCN(C)C2)cc1.O=C(Oc1ccc(Cl)cc1)N1CCc2c([nH]c3ccc(Cl)cc23)C1c1ccc(OCC(O)Cn2ccnn2)cc1.

What is the InChIKey of (4-chlorophenyl) 6-chloro-1-[4-[2-hydroxy-3-(4-methylpiperazin-1-yl)propoxy]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;(4-chlorophenyl) 6-chloro-1-[4-[2-hydroxy-3-(triazol-1-yl)propoxy]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;methyl 6-chloro-1-[4-[(1-methylpiperidin-3-yl)methoxy]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;propan-2-yl 6-chloro-1-[4-[(1-methylpiperidin-3-yl)methoxy]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate?

The InChIKey is AXKWXOYCCZJZFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34Cl2N4O4.C29H25Cl2N5O4.C28H34ClN3O3.C26H30ClN3O3/c1-36-14-16-37(17-15-36)19-24(39)20-41-25-7-2-21(3-8-25)31-30-27(28-18-23(34)6-11-29(28)35-30)12-13-38(31)32(40)42-26-9-4-22(33)5-10-26;30-19-3-8-23(9-4-19)40-29(38)36-13-11-24-25-15-20(31)5-10-26(25)33-27(24)28(36)18-1-6-22(7-2-18)39-17-21(37)16-35-14-12-32-34-35;1-18(2)35-28(33)32-14-12-23-24-15-21(29)8-11-25(24)30-26(23)27(32)20-6-9-22(10-7-20)34-17-19-5-4-13-31(3)16-19;1-29-12-3-4-17(15-29)16-33-20-8-5-18(6-9-20)25-24-21(11-13-30(25)26(31)32-2)22-14-19(27)7-10-23(22)28-24/h2-11,18,24,31,35,39H,12-17,19-20H2,1H3;1-10,12,14-15,21,28,33,37H,11,13,16-17H2;6-11,15,18-19,27,30H,4-5,12-14,16-17H2,1-3H3;5-10,14,17,25,28H,3-4,11-13,15-16H2,1-2H3.

What are the key properties of (4-chlorophenyl) 6-chloro-1-[4-[2-hydroxy-3-(4-methylpiperazin-1-yl)propoxy]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;(4-chlorophenyl) 6-chloro-1-[4-[2-hydroxy-3-(triazol-1-yl)propoxy]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;methyl 6-chloro-1-[4-[(1-methylpiperidin-3-yl)methoxy]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;propan-2-yl 6-chloro-1-[4-[(1-methylpiperidin-3-yl)methoxy]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate?

(4-chlorophenyl) 6-chloro-1-[4-[2-hydroxy-3-(4-methylpiperazin-1-yl)propoxy]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;(4-chlorophenyl) 6-chloro-1-[4-[2-hydroxy-3-(triazol-1-yl)propoxy]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;methyl 6-chloro-1-[4-[(1-methylpiperidin-3-yl)methoxy]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;propan-2-yl 6-chloro-1-[4-[(1-methylpiperidin-3-yl)methoxy]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate has a molecular weight of 2152.06 g/mol, XLogP of 22.55, 23 rotatable bonds, 6 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for (4-chlorophenyl) 6-chloro-1-[4-[2-hydroxy-3-(4-methylpiperazin-1-yl)propoxy]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;(4-chlorophenyl) 6-chloro-1-[4-[2-hydroxy-3-(triazol-1-yl)propoxy]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;methyl 6-chloro-1-[4-[(1-methylpiperidin-3-yl)methoxy]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;propan-2-yl 6-chloro-1-[4-[(1-methylpiperidin-3-yl)methoxy]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate is sourced from PubChem (CID 157260806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).