(4-chlorophenyl) 6-chloro-1-[4-[3-[(2R)-2-methoxycarbonylpyrrolidin-1-yl]propoxy]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;ethyl 1-[3-[3-(4-acetylpiperazin-1-yl)propoxy]phenyl]-6-chloro-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;(4-fluorophenyl) 1-[3-[3-(4-acetylpiperazin-1-yl)propoxy]phenyl]-6-chloro-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;(4-methoxyphenyl) (1S)-6-chloro-1-[4-[(3R)-3,4-dihydroxybutoxy]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate

C124H131Cl5FN13O19 — CID 157174370

About (4-chlorophenyl) 6-chloro-1-[4-[3-[(2R)-2-methoxycarbonylpyrrolidin-1-yl]propoxy]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;ethyl 1-[3-[3-(4-acetylpiperazin-1-yl)propoxy]phenyl]-6-chloro-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;(4-fluorophenyl) 1-[3-[3-(4-acetylpiperazin-1-yl)propoxy]phenyl]-6-chloro-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;(4-methoxyphenyl) (1S)-6-chloro-1-[4-[(3R)-3,4-dihydroxybutoxy]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate

(4-chlorophenyl) 6-chloro-1-[4-[3-[(2R)-2-methoxycarbonylpyrrolidin-1-yl]propoxy]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;ethyl 1-[3-[3-(4-acetylpiperazin-1-yl)propoxy]phenyl]-6-chloro-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;(4-fluorophenyl) 1-[3-[3-(4-acetylpiperazin-1-yl)propoxy]phenyl]-6-chloro-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;(4-methoxyphenyl) (1S)-6-chloro-1-[4-[(3R)-3,4-dihydroxybutoxy]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate (PubChem CID 157174370) has the molecular formula C124H131Cl5FN13O19 and a molecular weight of 2303.75 g/mol. Its IUPAC name is (4-chlorophenyl) 6-chloro-1-[4-[3-[(2R)-2-methoxycarbonylpyrrolidin-1-yl]propoxy]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;ethyl 1-[3-[3-(4-acetylpiperazin-1-yl)propoxy]phenyl]-6-chloro-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;(4-fluorophenyl) 1-[3-[3-(4-acetylpiperazin-1-yl)propoxy]phenyl]-6-chloro-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;(4-methoxyphenyl) (1S)-6-chloro-1-[4-[(3R)-3,4-dihydroxybutoxy]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate.

Molecular Properties

• Compound Name: (4-chlorophenyl) 6-chloro-1-[4-[3-[(2R)-2-methoxycarbonylpyrrolidin-1-yl]propoxy]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;ethyl 1-[3-[3-(4-acetylpiperazin-1-yl)propoxy]phenyl]-6-chloro-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;(4-fluorophenyl) 1-[3-[3-(4-acetylpiperazin-1-yl)propoxy]phenyl]-6-chloro-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;(4-methoxyphenyl) (1S)-6-chloro-1-[4-[(3R)-3,4-dihydroxybutoxy]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate
• PubChem CID: 157174370
• Molecular Formula: C124H131Cl5FN13O19
• Molecular Weight: 2303.75 g/mol
• Exact Mass: 2299.81
• IUPAC Name: (4-chlorophenyl) 6-chloro-1-[4-[3-[(2R)-2-methoxycarbonylpyrrolidin-1-yl]propoxy]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;ethyl 1-[3-[3-(4-acetylpiperazin-1-yl)propoxy]phenyl]-6-chloro-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;(4-fluorophenyl) 1-[3-[3-(4-acetylpiperazin-1-yl)propoxy]phenyl]-6-chloro-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;(4-methoxyphenyl) (1S)-6-chloro-1-[4-[(3R)-3,4-dihydroxybutoxy]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate
• SMILES: CC(=O)N1CCN(CCCOc2cccc(C3c4[nH]c5ccc(Cl)cc5c4CCN3C(=O)Oc3ccc(F)cc3)c2)CC1.CCOC(=O)N1CCc2c([nH]c3ccc(Cl)cc23)C1c1cccc(OCCCN2CCN(C(C)=O)CC2)c1.COC(=O)[C@H]1CCCN1CCCOc1ccc(C2c3[nH]c4ccc(Cl)cc4c3CCN2C(=O)Oc2ccc(Cl)cc2)cc1.COc1ccc(OC(=O)N2CCc3c([nH]c4ccc(Cl)cc34)[C@@H]2c2ccc(OCC[C@@H](O)CO)cc2)cc1
• InChI: InChI=1S/C33H33Cl2N3O5.C33H34ClFN4O4.C29H35ClN4O4.C29H29ClN2O6/c1-41-32(39)29-4-2-16-37(29)17-3-19-42-24-10-5-21(6-11-24)31-30-26(27-20-23(35)9-14-28(27)36-30)15-18-38(31)33(40)43-25-12-7-22(34)8-13-25;1-22(40)38-17-15-37(16-18-38)13-3-19-42-27-5-2-4-23(20-27)32-31-28(29-21-24(34)6-11-30(29)36-31)12-14-39(32)33(41)43-26-9-7-25(35)8-10-26;1-3-37-29(36)34-12-10-24-25-19-22(30)8-9-26(25)31-27(24)28(34)21-6-4-7-23(18-21)38-17-5-11-32-13-15-33(16-14-32)20(2)35;1-36-21-7-9-23(10-8-21)38-29(35)32-14-12-24-25-16-19(30)4-11-26(25)31-27(24)28(32)18-2-5-22(6-3-18)37-15-13-20(34)17-33/h5-14,20,29,31,36H,2-4,15-19H2,1H3;2,4-11,20-21,32,36H,3,12-19H2,1H3;4,6-9,18-19,28,31H,3,5,10-17H2,1-2H3;2-11,16,20,28,31,33-34H,12-15,17H2,1H3/t29-,31?;;;20-,28+/m1..1/s1
• InChIKey: ANVJNZOGVIFRPD-NXBBKRRFSA-N
• XLogP: 23.02
• TPSA: 344.57 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 22
• Rotatable Bonds: 30
• Heavy Atoms: 162
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2303.75
LogP ≤ 5	23.02
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'indol_3yl_alk(461)', '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-[3-[(2R)-2-methoxycarbonylpyrrolidin-1-yl]propoxy]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;ethyl 1-[3-[3-(4-acetylpiperazin-1-yl)propoxy]phenyl]-6-chloro-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;(4-fluorophenyl) 1-[3-[3-(4-acetylpiperazin-1-yl)propoxy]phenyl]-6-chloro-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;(4-methoxyphenyl) (1S)-6-chloro-1-[4-[(3R)-3,4-dihydroxybutoxy]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate?

The IUPAC name of (4-chlorophenyl) 6-chloro-1-[4-[3-[(2R)-2-methoxycarbonylpyrrolidin-1-yl]propoxy]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;ethyl 1-[3-[3-(4-acetylpiperazin-1-yl)propoxy]phenyl]-6-chloro-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;(4-fluorophenyl) 1-[3-[3-(4-acetylpiperazin-1-yl)propoxy]phenyl]-6-chloro-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;(4-methoxyphenyl) (1S)-6-chloro-1-[4-[(3R)-3,4-dihydroxybutoxy]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate (CID 157174370) is (4-chlorophenyl) 6-chloro-1-[4-[3-[(2R)-2-methoxycarbonylpyrrolidin-1-yl]propoxy]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;ethyl 1-[3-[3-(4-acetylpiperazin-1-yl)propoxy]phenyl]-6-chloro-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;(4-fluorophenyl) 1-[3-[3-(4-acetylpiperazin-1-yl)propoxy]phenyl]-6-chloro-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;(4-methoxyphenyl) (1S)-6-chloro-1-[4-[(3R)-3,4-dihydroxybutoxy]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate.

What is the SMILES notation for (4-chlorophenyl) 6-chloro-1-[4-[3-[(2R)-2-methoxycarbonylpyrrolidin-1-yl]propoxy]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;ethyl 1-[3-[3-(4-acetylpiperazin-1-yl)propoxy]phenyl]-6-chloro-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;(4-fluorophenyl) 1-[3-[3-(4-acetylpiperazin-1-yl)propoxy]phenyl]-6-chloro-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;(4-methoxyphenyl) (1S)-6-chloro-1-[4-[(3R)-3,4-dihydroxybutoxy]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate?

The canonical SMILES for (4-chlorophenyl) 6-chloro-1-[4-[3-[(2R)-2-methoxycarbonylpyrrolidin-1-yl]propoxy]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;ethyl 1-[3-[3-(4-acetylpiperazin-1-yl)propoxy]phenyl]-6-chloro-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;(4-fluorophenyl) 1-[3-[3-(4-acetylpiperazin-1-yl)propoxy]phenyl]-6-chloro-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;(4-methoxyphenyl) (1S)-6-chloro-1-[4-[(3R)-3,4-dihydroxybutoxy]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate is CC(=O)N1CCN(CCCOc2cccc(C3c4[nH]c5ccc(Cl)cc5c4CCN3C(=O)Oc3ccc(F)cc3)c2)CC1.CCOC(=O)N1CCc2c([nH]c3ccc(Cl)cc23)C1c1cccc(OCCCN2CCN(C(C)=O)CC2)c1.COC(=O)[C@H]1CCCN1CCCOc1ccc(C2c3[nH]c4ccc(Cl)cc4c3CCN2C(=O)Oc2ccc(Cl)cc2)cc1.COc1ccc(OC(=O)N2CCc3c([nH]c4ccc(Cl)cc34)[C@@H]2c2ccc(OCC[C@@H](O)CO)cc2)cc1.

What is the InChIKey of (4-chlorophenyl) 6-chloro-1-[4-[3-[(2R)-2-methoxycarbonylpyrrolidin-1-yl]propoxy]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;ethyl 1-[3-[3-(4-acetylpiperazin-1-yl)propoxy]phenyl]-6-chloro-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;(4-fluorophenyl) 1-[3-[3-(4-acetylpiperazin-1-yl)propoxy]phenyl]-6-chloro-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;(4-methoxyphenyl) (1S)-6-chloro-1-[4-[(3R)-3,4-dihydroxybutoxy]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate?

The InChIKey is ANVJNZOGVIFRPD-NXBBKRRFSA-N. The full InChI is InChI=1S/C33H33Cl2N3O5.C33H34ClFN4O4.C29H35ClN4O4.C29H29ClN2O6/c1-41-32(39)29-4-2-16-37(29)17-3-19-42-24-10-5-21(6-11-24)31-30-26(27-20-23(35)9-14-28(27)36-30)15-18-38(31)33(40)43-25-12-7-22(34)8-13-25;1-22(40)38-17-15-37(16-18-38)13-3-19-42-27-5-2-4-23(20-27)32-31-28(29-21-24(34)6-11-30(29)36-31)12-14-39(32)33(41)43-26-9-7-25(35)8-10-26;1-3-37-29(36)34-12-10-24-25-19-22(30)8-9-26(25)31-27(24)28(34)21-6-4-7-23(18-21)38-17-5-11-32-13-15-33(16-14-32)20(2)35;1-36-21-7-9-23(10-8-21)38-29(35)32-14-12-24-25-16-19(30)4-11-26(25)31-27(24)28(32)18-2-5-22(6-3-18)37-15-13-20(34)17-33/h5-14,20,29,31,36H,2-4,15-19H2,1H3;2,4-11,20-21,32,36H,3,12-19H2,1H3;4,6-9,18-19,28,31H,3,5,10-17H2,1-2H3;2-11,16,20,28,31,33-34H,12-15,17H2,1H3/t29-,31?;;;20-,28+/m1..1/s1.

What are the key properties of (4-chlorophenyl) 6-chloro-1-[4-[3-[(2R)-2-methoxycarbonylpyrrolidin-1-yl]propoxy]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;ethyl 1-[3-[3-(4-acetylpiperazin-1-yl)propoxy]phenyl]-6-chloro-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;(4-fluorophenyl) 1-[3-[3-(4-acetylpiperazin-1-yl)propoxy]phenyl]-6-chloro-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;(4-methoxyphenyl) (1S)-6-chloro-1-[4-[(3R)-3,4-dihydroxybutoxy]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate?

(4-chlorophenyl) 6-chloro-1-[4-[3-[(2R)-2-methoxycarbonylpyrrolidin-1-yl]propoxy]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;ethyl 1-[3-[3-(4-acetylpiperazin-1-yl)propoxy]phenyl]-6-chloro-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;(4-fluorophenyl) 1-[3-[3-(4-acetylpiperazin-1-yl)propoxy]phenyl]-6-chloro-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;(4-methoxyphenyl) (1S)-6-chloro-1-[4-[(3R)-3,4-dihydroxybutoxy]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate has a molecular weight of 2303.75 g/mol, XLogP of 23.02, 30 rotatable bonds, 6 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for (4-chlorophenyl) 6-chloro-1-[4-[3-[(2R)-2-methoxycarbonylpyrrolidin-1-yl]propoxy]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;ethyl 1-[3-[3-(4-acetylpiperazin-1-yl)propoxy]phenyl]-6-chloro-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;(4-fluorophenyl) 1-[3-[3-(4-acetylpiperazin-1-yl)propoxy]phenyl]-6-chloro-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;(4-methoxyphenyl) (1S)-6-chloro-1-[4-[(3R)-3,4-dihydroxybutoxy]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate is sourced from PubChem (CID 157174370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).