dipotassium;7-(3-bromopropoxy)-4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-3-chlorophenoxy]quinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-3-chlorophenoxy]-7-[3-[4-(2-methoxyethyl)piperazin-1-yl]propoxy]quinoline-6-carboxamide;4-[3-chloro-4-[3-[5-(2-methylpropan-2-yl)-2H-pyrrol-3-yl]-2-oxopropyl]phenoxy]-7-hydroxyquinoline-6-carboxamide;1,3-dibromopropane;1-(2-methoxyethyl)piperazine;diiodide

C104H124Br3Cl3I2K2N13O14+ — CID 157192974

About dipotassium;7-(3-bromopropoxy)-4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-3-chlorophenoxy]quinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-3-chlorophenoxy]-7-[3-[4-(2-methoxyethyl)piperazin-1-yl]propoxy]quinoline-6-carboxamide;4-[3-chloro-4-[3-[5-(2-methylpropan-2-yl)-2H-pyrrol-3-yl]-2-oxopropyl]phenoxy]-7-hydroxyquinoline-6-carboxamide;1,3-dibromopropane;1-(2-methoxyethyl)piperazine;diiodide

dipotassium;7-(3-bromopropoxy)-4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-3-chlorophenoxy]quinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-3-chlorophenoxy]-7-[3-[4-(2-methoxyethyl)piperazin-1-yl]propoxy]quinoline-6-carboxamide;4-[3-chloro-4-[3-[5-(2-methylpropan-2-yl)-2H-pyrrol-3-yl]-2-oxopropyl]phenoxy]-7-hydroxyquinoline-6-carboxamide;1,3-dibromopropane;1-(2-methoxyethyl)piperazine;diiodide (PubChem CID 157192974) has the molecular formula C104H124Br3Cl3I2K2N13O14+ and a molecular weight of 2458.29 g/mol. Its IUPAC name is dipotassium;7-(3-bromopropoxy)-4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-3-chlorophenoxy]quinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-3-chlorophenoxy]-7-[3-[4-(2-methoxyethyl)piperazin-1-yl]propoxy]quinoline-6-carboxamide;4-[3-chloro-4-[3-[5-(2-methylpropan-2-yl)-2H-pyrrol-3-yl]-2-oxopropyl]phenoxy]-7-hydroxyquinoline-6-carboxamide;1,3-dibromopropane;1-(2-methoxyethyl)piperazine;diiodide.

Molecular Properties

• Compound Name: dipotassium;7-(3-bromopropoxy)-4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-3-chlorophenoxy]quinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-3-chlorophenoxy]-7-[3-[4-(2-methoxyethyl)piperazin-1-yl]propoxy]quinoline-6-carboxamide;4-[3-chloro-4-[3-[5-(2-methylpropan-2-yl)-2H-pyrrol-3-yl]-2-oxopropyl]phenoxy]-7-hydroxyquinoline-6-carboxamide;1,3-dibromopropane;1-(2-methoxyethyl)piperazine;diiodide
• PubChem CID: 157192974
• Molecular Formula: C104H124Br3Cl3I2K2N13O14+
• Molecular Weight: 2458.29 g/mol
• Exact Mass: 2452.34
• IUPAC Name: dipotassium;7-(3-bromopropoxy)-4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-3-chlorophenoxy]quinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-3-chlorophenoxy]-7-[3-[4-(2-methoxyethyl)piperazin-1-yl]propoxy]quinoline-6-carboxamide;4-[3-chloro-4-[3-[5-(2-methylpropan-2-yl)-2H-pyrrol-3-yl]-2-oxopropyl]phenoxy]-7-hydroxyquinoline-6-carboxamide;1,3-dibromopropane;1-(2-methoxyethyl)piperazine;diiodide
• SMILES: BrCCCBr.CC(C)(C)C1=NCC(CC(=O)Cc2ccc(Oc3ccnc4cc(OCCCBr)c(C(N)=O)cc34)cc2Cl)=C1.COCCN1CCN(CCCOc2cc3nccc(Oc4ccc(CC(=O)CC5=CC(C(C)(C)C)=NC5)c(Cl)c4)c3cc2C(N)=O)CC1.COCCN1CCNCC1.[CH2+]C(C)(C)C1=NCC(CC(=O)Cc2ccc(Oc3ccnc4cc(O)c(C(N)=O)cc34)cc2Cl)=C1.[I-].[I-].[K+].[K+]
• InChI: InChI=1S/C37H46ClN5O5.C30H31BrClN3O4.C27H24ClN3O4.C7H16N2O.C3H6Br2.2HI.2K/c1-37(2,3)35-19-25(24-41-35)18-27(44)20-26-6-7-28(21-31(26)38)48-33-8-9-40-32-23-34(30(36(39)45)22-29(32)33)47-16-5-10-42-11-13-43(14-12-42)15-17-46-4;1-30(2,3)28-12-18(17-35-28)11-20(36)13-19-5-6-21(14-24(19)32)39-26-7-9-34-25-16-27(38-10-4-8-31)23(29(33)37)15-22(25)26;1-27(2,3)25-9-15(14-31-25)8-17(32)10-16-4-5-18(11-21(16)28)35-24-6-7-30-22-13-23(33)20(26(29)34)12-19(22)24;1-10-7-6-9-4-2-8-3-5-9;4-2-1-3-5;;;;/h6-9,19,21-23H,5,10-18,20,24H2,1-4H3,(H2,39,45);5-7,9,12,14-16H,4,8,10-11,13,17H2,1-3H3,(H2,33,37);4-7,9,11-13H,1,8,10,14H2,2-3H3,(H2-,29,30,33,34);8H,2-7H2,1H3;1-3H2;2*1H;;/q;;;;;;;2*+1/p-1
• InChIKey: APXMMHIXQVLIBG-UHFFFAOYSA-M
• XLogP: 7.56
• TPSA: 362.82 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 24
• Rotatable Bonds: 39
• Heavy Atoms: 141
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2458.29
LogP ≤ 5	7.56
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of dipotassium;7-(3-bromopropoxy)-4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-3-chlorophenoxy]quinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-3-chlorophenoxy]-7-[3-[4-(2-methoxyethyl)piperazin-1-yl]propoxy]quinoline-6-carboxamide;4-[3-chloro-4-[3-[5-(2-methylpropan-2-yl)-2H-pyrrol-3-yl]-2-oxopropyl]phenoxy]-7-hydroxyquinoline-6-carboxamide;1,3-dibromopropane;1-(2-methoxyethyl)piperazine;diiodide?

The IUPAC name of dipotassium;7-(3-bromopropoxy)-4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-3-chlorophenoxy]quinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-3-chlorophenoxy]-7-[3-[4-(2-methoxyethyl)piperazin-1-yl]propoxy]quinoline-6-carboxamide;4-[3-chloro-4-[3-[5-(2-methylpropan-2-yl)-2H-pyrrol-3-yl]-2-oxopropyl]phenoxy]-7-hydroxyquinoline-6-carboxamide;1,3-dibromopropane;1-(2-methoxyethyl)piperazine;diiodide (CID 157192974) is dipotassium;7-(3-bromopropoxy)-4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-3-chlorophenoxy]quinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-3-chlorophenoxy]-7-[3-[4-(2-methoxyethyl)piperazin-1-yl]propoxy]quinoline-6-carboxamide;4-[3-chloro-4-[3-[5-(2-methylpropan-2-yl)-2H-pyrrol-3-yl]-2-oxopropyl]phenoxy]-7-hydroxyquinoline-6-carboxamide;1,3-dibromopropane;1-(2-methoxyethyl)piperazine;diiodide.

What is the SMILES notation for dipotassium;7-(3-bromopropoxy)-4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-3-chlorophenoxy]quinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-3-chlorophenoxy]-7-[3-[4-(2-methoxyethyl)piperazin-1-yl]propoxy]quinoline-6-carboxamide;4-[3-chloro-4-[3-[5-(2-methylpropan-2-yl)-2H-pyrrol-3-yl]-2-oxopropyl]phenoxy]-7-hydroxyquinoline-6-carboxamide;1,3-dibromopropane;1-(2-methoxyethyl)piperazine;diiodide?

The canonical SMILES for dipotassium;7-(3-bromopropoxy)-4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-3-chlorophenoxy]quinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-3-chlorophenoxy]-7-[3-[4-(2-methoxyethyl)piperazin-1-yl]propoxy]quinoline-6-carboxamide;4-[3-chloro-4-[3-[5-(2-methylpropan-2-yl)-2H-pyrrol-3-yl]-2-oxopropyl]phenoxy]-7-hydroxyquinoline-6-carboxamide;1,3-dibromopropane;1-(2-methoxyethyl)piperazine;diiodide is BrCCCBr.CC(C)(C)C1=NCC(CC(=O)Cc2ccc(Oc3ccnc4cc(OCCCBr)c(C(N)=O)cc34)cc2Cl)=C1.COCCN1CCN(CCCOc2cc3nccc(Oc4ccc(CC(=O)CC5=CC(C(C)(C)C)=NC5)c(Cl)c4)c3cc2C(N)=O)CC1.COCCN1CCNCC1.[CH2+]C(C)(C)C1=NCC(CC(=O)Cc2ccc(Oc3ccnc4cc(O)c(C(N)=O)cc34)cc2Cl)=C1.[I-].[I-].[K+].[K+].

What is the InChIKey of dipotassium;7-(3-bromopropoxy)-4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-3-chlorophenoxy]quinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-3-chlorophenoxy]-7-[3-[4-(2-methoxyethyl)piperazin-1-yl]propoxy]quinoline-6-carboxamide;4-[3-chloro-4-[3-[5-(2-methylpropan-2-yl)-2H-pyrrol-3-yl]-2-oxopropyl]phenoxy]-7-hydroxyquinoline-6-carboxamide;1,3-dibromopropane;1-(2-methoxyethyl)piperazine;diiodide?

The InChIKey is APXMMHIXQVLIBG-UHFFFAOYSA-M. The full InChI is InChI=1S/C37H46ClN5O5.C30H31BrClN3O4.C27H24ClN3O4.C7H16N2O.C3H6Br2.2HI.2K/c1-37(2,3)35-19-25(24-41-35)18-27(44)20-26-6-7-28(21-31(26)38)48-33-8-9-40-32-23-34(30(36(39)45)22-29(32)33)47-16-5-10-42-11-13-43(14-12-42)15-17-46-4;1-30(2,3)28-12-18(17-35-28)11-20(36)13-19-5-6-21(14-24(19)32)39-26-7-9-34-25-16-27(38-10-4-8-31)23(29(33)37)15-22(25)26;1-27(2,3)25-9-15(14-31-25)8-17(32)10-16-4-5-18(11-21(16)28)35-24-6-7-30-22-13-23(33)20(26(29)34)12-19(22)24;1-10-7-6-9-4-2-8-3-5-9;4-2-1-3-5;;;;/h6-9,19,21-23H,5,10-18,20,24H2,1-4H3,(H2,39,45);5-7,9,12,14-16H,4,8,10-11,13,17H2,1-3H3,(H2,33,37);4-7,9,11-13H,1,8,10,14H2,2-3H3,(H2-,29,30,33,34);8H,2-7H2,1H3;1-3H2;2*1H;;/q;;;;;;;2*+1/p-1.

What are the key properties of dipotassium;7-(3-bromopropoxy)-4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-3-chlorophenoxy]quinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-3-chlorophenoxy]-7-[3-[4-(2-methoxyethyl)piperazin-1-yl]propoxy]quinoline-6-carboxamide;4-[3-chloro-4-[3-[5-(2-methylpropan-2-yl)-2H-pyrrol-3-yl]-2-oxopropyl]phenoxy]-7-hydroxyquinoline-6-carboxamide;1,3-dibromopropane;1-(2-methoxyethyl)piperazine;diiodide?

dipotassium;7-(3-bromopropoxy)-4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-3-chlorophenoxy]quinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-3-chlorophenoxy]-7-[3-[4-(2-methoxyethyl)piperazin-1-yl]propoxy]quinoline-6-carboxamide;4-[3-chloro-4-[3-[5-(2-methylpropan-2-yl)-2H-pyrrol-3-yl]-2-oxopropyl]phenoxy]-7-hydroxyquinoline-6-carboxamide;1,3-dibromopropane;1-(2-methoxyethyl)piperazine;diiodide has a molecular weight of 2458.29 g/mol, XLogP of 7.56, 39 rotatable bonds, 5 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for dipotassium;7-(3-bromopropoxy)-4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-3-chlorophenoxy]quinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-3-chlorophenoxy]-7-[3-[4-(2-methoxyethyl)piperazin-1-yl]propoxy]quinoline-6-carboxamide;4-[3-chloro-4-[3-[5-(2-methylpropan-2-yl)-2H-pyrrol-3-yl]-2-oxopropyl]phenoxy]-7-hydroxyquinoline-6-carboxamide;1,3-dibromopropane;1-(2-methoxyethyl)piperazine;diiodide is sourced from PubChem (CID 157192974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).