(4-chlorophenyl) 6-chloro-1-[4-(2-methoxyethoxycarbonylamino)phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;(4-chlorophenyl) 6-chloro-1-[4-(propanoylamino)phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;ethyl 6-chloro-1-[4-[4-(2-methoxyethyl)piperazine-1-carbonyl]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;ethyl 6-chloro-1-(2-methylpropyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate

C101H104Cl6N12O14 — CID 159647942

About (4-chlorophenyl) 6-chloro-1-[4-(2-methoxyethoxycarbonylamino)phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;(4-chlorophenyl) 6-chloro-1-[4-(propanoylamino)phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;ethyl 6-chloro-1-[4-[4-(2-methoxyethyl)piperazine-1-carbonyl]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;ethyl 6-chloro-1-(2-methylpropyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate

(4-chlorophenyl) 6-chloro-1-[4-(2-methoxyethoxycarbonylamino)phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;(4-chlorophenyl) 6-chloro-1-[4-(propanoylamino)phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;ethyl 6-chloro-1-[4-[4-(2-methoxyethyl)piperazine-1-carbonyl]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;ethyl 6-chloro-1-(2-methylpropyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate (PubChem CID 159647942) has the molecular formula C101H104Cl6N12O14 and a molecular weight of 1922.73 g/mol. Its IUPAC name is (4-chlorophenyl) 6-chloro-1-[4-(2-methoxyethoxycarbonylamino)phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;(4-chlorophenyl) 6-chloro-1-[4-(propanoylamino)phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;ethyl 6-chloro-1-[4-[4-(2-methoxyethyl)piperazine-1-carbonyl]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;ethyl 6-chloro-1-(2-methylpropyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate.

Molecular Properties

• Compound Name: (4-chlorophenyl) 6-chloro-1-[4-(2-methoxyethoxycarbonylamino)phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;(4-chlorophenyl) 6-chloro-1-[4-(propanoylamino)phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;ethyl 6-chloro-1-[4-[4-(2-methoxyethyl)piperazine-1-carbonyl]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;ethyl 6-chloro-1-(2-methylpropyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate
• PubChem CID: 159647942
• Molecular Formula: C101H104Cl6N12O14
• Molecular Weight: 1922.73 g/mol
• Exact Mass: 1918.59
• IUPAC Name: (4-chlorophenyl) 6-chloro-1-[4-(2-methoxyethoxycarbonylamino)phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;(4-chlorophenyl) 6-chloro-1-[4-(propanoylamino)phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;ethyl 6-chloro-1-[4-[4-(2-methoxyethyl)piperazine-1-carbonyl]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;ethyl 6-chloro-1-(2-methylpropyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate
• SMILES: CCC(=O)Nc1ccc(C2c3[nH]c4ccc(Cl)cc4c3CCN2C(=O)Oc2ccc(Cl)cc2)cc1.CCOC(=O)N1CCc2c([nH]c3ccc(Cl)cc23)C1CC(C)C.CCOC(=O)N1CCc2c([nH]c3ccc(Cl)cc23)C1c1ccc(C(=O)N2CCN(CCOC)CC2)cc1.COCCOC(=O)Nc1ccc(C2c3[nH]c4ccc(Cl)cc4c3CCN2C(=O)Oc2ccc(Cl)cc2)cc1
• InChI: InChI=1S/C28H25Cl2N3O5.C28H33ClN4O4.C27H23Cl2N3O3.C18H23ClN2O2/c1-36-14-15-37-27(34)31-20-7-2-17(3-8-20)26-25-22(23-16-19(30)6-11-24(23)32-25)12-13-33(26)28(35)38-21-9-4-18(29)5-10-21;1-3-37-28(35)33-11-10-22-23-18-21(29)8-9-24(23)30-25(22)26(33)19-4-6-20(7-5-19)27(34)32-14-12-31(13-15-32)16-17-36-2;1-2-24(33)30-19-8-3-16(4-9-19)26-25-21(22-15-18(29)7-12-23(22)31-25)13-14-32(26)27(34)35-20-10-5-17(28)6-11-20;1-4-23-18(22)21-8-7-13-14-10-12(19)5-6-15(14)20-17(13)16(21)9-11(2)3/h2-11,16,26,32H,12-15H2,1H3,(H,31,34);4-9,18,26,30H,3,10-17H2,1-2H3;3-12,15,26,31H,2,13-14H2,1H3,(H,30,33);5-6,10-11,16,20H,4,7-9H2,1-3H3
• InChIKey: MREQEJWBQCIVII-UHFFFAOYSA-N
• XLogP: 23.04
• TPSA: 290.76 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 15
• Rotatable Bonds: 19
• Heavy Atoms: 133
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1922.73
LogP ≤ 5	23.04
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl) 6-chloro-1-[4-(2-methoxyethoxycarbonylamino)phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;(4-chlorophenyl) 6-chloro-1-[4-(propanoylamino)phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;ethyl 6-chloro-1-[4-[4-(2-methoxyethyl)piperazine-1-carbonyl]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;ethyl 6-chloro-1-(2-methylpropyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate?

The IUPAC name of (4-chlorophenyl) 6-chloro-1-[4-(2-methoxyethoxycarbonylamino)phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;(4-chlorophenyl) 6-chloro-1-[4-(propanoylamino)phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;ethyl 6-chloro-1-[4-[4-(2-methoxyethyl)piperazine-1-carbonyl]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;ethyl 6-chloro-1-(2-methylpropyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate (CID 159647942) is (4-chlorophenyl) 6-chloro-1-[4-(2-methoxyethoxycarbonylamino)phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;(4-chlorophenyl) 6-chloro-1-[4-(propanoylamino)phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;ethyl 6-chloro-1-[4-[4-(2-methoxyethyl)piperazine-1-carbonyl]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;ethyl 6-chloro-1-(2-methylpropyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate.

What is the SMILES notation for (4-chlorophenyl) 6-chloro-1-[4-(2-methoxyethoxycarbonylamino)phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;(4-chlorophenyl) 6-chloro-1-[4-(propanoylamino)phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;ethyl 6-chloro-1-[4-[4-(2-methoxyethyl)piperazine-1-carbonyl]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;ethyl 6-chloro-1-(2-methylpropyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate?

The canonical SMILES for (4-chlorophenyl) 6-chloro-1-[4-(2-methoxyethoxycarbonylamino)phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;(4-chlorophenyl) 6-chloro-1-[4-(propanoylamino)phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;ethyl 6-chloro-1-[4-[4-(2-methoxyethyl)piperazine-1-carbonyl]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;ethyl 6-chloro-1-(2-methylpropyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate is CCC(=O)Nc1ccc(C2c3[nH]c4ccc(Cl)cc4c3CCN2C(=O)Oc2ccc(Cl)cc2)cc1.CCOC(=O)N1CCc2c([nH]c3ccc(Cl)cc23)C1CC(C)C.CCOC(=O)N1CCc2c([nH]c3ccc(Cl)cc23)C1c1ccc(C(=O)N2CCN(CCOC)CC2)cc1.COCCOC(=O)Nc1ccc(C2c3[nH]c4ccc(Cl)cc4c3CCN2C(=O)Oc2ccc(Cl)cc2)cc1.

What is the InChIKey of (4-chlorophenyl) 6-chloro-1-[4-(2-methoxyethoxycarbonylamino)phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;(4-chlorophenyl) 6-chloro-1-[4-(propanoylamino)phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;ethyl 6-chloro-1-[4-[4-(2-methoxyethyl)piperazine-1-carbonyl]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;ethyl 6-chloro-1-(2-methylpropyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate?

The InChIKey is MREQEJWBQCIVII-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25Cl2N3O5.C28H33ClN4O4.C27H23Cl2N3O3.C18H23ClN2O2/c1-36-14-15-37-27(34)31-20-7-2-17(3-8-20)26-25-22(23-16-19(30)6-11-24(23)32-25)12-13-33(26)28(35)38-21-9-4-18(29)5-10-21;1-3-37-28(35)33-11-10-22-23-18-21(29)8-9-24(23)30-25(22)26(33)19-4-6-20(7-5-19)27(34)32-14-12-31(13-15-32)16-17-36-2;1-2-24(33)30-19-8-3-16(4-9-19)26-25-21(22-15-18(29)7-12-23(22)31-25)13-14-32(26)27(34)35-20-10-5-17(28)6-11-20;1-4-23-18(22)21-8-7-13-14-10-12(19)5-6-15(14)20-17(13)16(21)9-11(2)3/h2-11,16,26,32H,12-15H2,1H3,(H,31,34);4-9,18,26,30H,3,10-17H2,1-2H3;3-12,15,26,31H,2,13-14H2,1H3,(H,30,33);5-6,10-11,16,20H,4,7-9H2,1-3H3.

What are the key properties of (4-chlorophenyl) 6-chloro-1-[4-(2-methoxyethoxycarbonylamino)phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;(4-chlorophenyl) 6-chloro-1-[4-(propanoylamino)phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;ethyl 6-chloro-1-[4-[4-(2-methoxyethyl)piperazine-1-carbonyl]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;ethyl 6-chloro-1-(2-methylpropyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate?

(4-chlorophenyl) 6-chloro-1-[4-(2-methoxyethoxycarbonylamino)phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;(4-chlorophenyl) 6-chloro-1-[4-(propanoylamino)phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;ethyl 6-chloro-1-[4-[4-(2-methoxyethyl)piperazine-1-carbonyl]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;ethyl 6-chloro-1-(2-methylpropyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate has a molecular weight of 1922.73 g/mol, XLogP of 23.04, 19 rotatable bonds, 6 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for (4-chlorophenyl) 6-chloro-1-[4-(2-methoxyethoxycarbonylamino)phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;(4-chlorophenyl) 6-chloro-1-[4-(propanoylamino)phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;ethyl 6-chloro-1-[4-[4-(2-methoxyethyl)piperazine-1-carbonyl]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;ethyl 6-chloro-1-(2-methylpropyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate is sourced from PubChem (CID 159647942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).