lithium;4-anilino-6-N-[3-[4-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetyl]piperazin-1-yl]-3-oxopropyl]-3-N-methylquinoline-3,6-dicarboxamide;3-[[4-anilino-3-(methylcarbamoyl)quinoline-6-carbonyl]amino]propanoic acid;4-anilino-3-(methylcarbamoyl)quinoline-6-carboxylic acid;tert-butyl 4-[3-[[4-anilino-3-(methylcarbamoyl)quinoline-6-carbonyl]amino]propanoyl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetic acid;methane;methyl 3-aminopropanoate;methyl 3-[[4-anilino-3-(methylcarbamoyl)quinoline-6-carbonyl]amino]propanoate;hydroxide

C160H177LiN32O35 — CID 157459012

About lithium;4-anilino-6-N-[3-[4-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetyl]piperazin-1-yl]-3-oxopropyl]-3-N-methylquinoline-3,6-dicarboxamide;3-[[4-anilino-3-(methylcarbamoyl)quinoline-6-carbonyl]amino]propanoic acid;4-anilino-3-(methylcarbamoyl)quinoline-6-carboxylic acid;tert-butyl 4-[3-[[4-anilino-3-(methylcarbamoyl)quinoline-6-carbonyl]amino]propanoyl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetic acid;methane;methyl 3-aminopropanoate;methyl 3-[[4-anilino-3-(methylcarbamoyl)quinoline-6-carbonyl]amino]propanoate;hydroxide

lithium;4-anilino-6-N-[3-[4-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetyl]piperazin-1-yl]-3-oxopropyl]-3-N-methylquinoline-3,6-dicarboxamide;3-[[4-anilino-3-(methylcarbamoyl)quinoline-6-carbonyl]amino]propanoic acid;4-anilino-3-(methylcarbamoyl)quinoline-6-carboxylic acid;tert-butyl 4-[3-[[4-anilino-3-(methylcarbamoyl)quinoline-6-carbonyl]amino]propanoyl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetic acid;methane;methyl 3-aminopropanoate;methyl 3-[[4-anilino-3-(methylcarbamoyl)quinoline-6-carbonyl]amino]propanoate;hydroxide (PubChem CID 157459012) has the molecular formula C160H177LiN32O35 and a molecular weight of 3115.31 g/mol. Its IUPAC name is lithium;4-anilino-6-N-[3-[4-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetyl]piperazin-1-yl]-3-oxopropyl]-3-N-methylquinoline-3,6-dicarboxamide;3-[[4-anilino-3-(methylcarbamoyl)quinoline-6-carbonyl]amino]propanoic acid;4-anilino-3-(methylcarbamoyl)quinoline-6-carboxylic acid;tert-butyl 4-[3-[[4-anilino-3-(methylcarbamoyl)quinoline-6-carbonyl]amino]propanoyl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetic acid;methane;methyl 3-aminopropanoate;methyl 3-[[4-anilino-3-(methylcarbamoyl)quinoline-6-carbonyl]amino]propanoate;hydroxide.

Molecular Properties

• Compound Name: lithium;4-anilino-6-N-[3-[4-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetyl]piperazin-1-yl]-3-oxopropyl]-3-N-methylquinoline-3,6-dicarboxamide;3-[[4-anilino-3-(methylcarbamoyl)quinoline-6-carbonyl]amino]propanoic acid;4-anilino-3-(methylcarbamoyl)quinoline-6-carboxylic acid;tert-butyl 4-[3-[[4-anilino-3-(methylcarbamoyl)quinoline-6-carbonyl]amino]propanoyl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetic acid;methane;methyl 3-aminopropanoate;methyl 3-[[4-anilino-3-(methylcarbamoyl)quinoline-6-carbonyl]amino]propanoate;hydroxide
• PubChem CID: 157459012
• Molecular Formula: C160H177LiN32O35
• Molecular Weight: 3115.31 g/mol
• Exact Mass: 3113.32
• IUPAC Name: lithium;4-anilino-6-N-[3-[4-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetyl]piperazin-1-yl]-3-oxopropyl]-3-N-methylquinoline-3,6-dicarboxamide;3-[[4-anilino-3-(methylcarbamoyl)quinoline-6-carbonyl]amino]propanoic acid;4-anilino-3-(methylcarbamoyl)quinoline-6-carboxylic acid;tert-butyl 4-[3-[[4-anilino-3-(methylcarbamoyl)quinoline-6-carbonyl]amino]propanoyl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetic acid;methane;methyl 3-aminopropanoate;methyl 3-[[4-anilino-3-(methylcarbamoyl)quinoline-6-carbonyl]amino]propanoate;hydroxide
• SMILES: C.CC(C)(C)OC(=O)N1CCNCC1.CNC(=O)c1cnc2ccc(C(=O)NCCC(=O)N3CCN(C(=O)CNc4cccc5c4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)cc2c1Nc1ccccc1.CNC(=O)c1cnc2ccc(C(=O)NCCC(=O)N3CCN(C(=O)OC(C)(C)C)CC3)cc2c1Nc1ccccc1.CNC(=O)c1cnc2ccc(C(=O)NCCC(=O)O)cc2c1Nc1ccccc1.CNC(=O)c1cnc2ccc(C(=O)NCCC(=O)OC)cc2c1Nc1ccccc1.CNC(=O)c1cnc2ccc(C(=O)O)cc2c1Nc1ccccc1.COC(=O)CCN.O=C(O)CNc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O.[Li+].[OH-]
• InChI: InChI=1S/C40H39N9O8.C30H36N6O5.C22H22N4O4.C21H20N4O4.C18H15N3O3.C15H13N3O6.C9H18N2O2.C4H9NO2.CH4.Li.H2O/c1-41-37(54)27-21-43-28-11-10-23(20-26(28)35(27)45-24-6-3-2-4-7-24)36(53)42-15-14-32(51)47-16-18-48(19-17-47)33(52)22-44-29-9-5-8-25-34(29)40(57)49(39(25)56)30-12-13-31(50)46-38(30)55;1-30(2,3)41-29(40)36-16-14-35(15-17-36)25(37)12-13-32-27(38)20-10-11-24-22(18-20)26(23(19-33-24)28(39)31-4)34-21-8-6-5-7-9-21;1-23-22(29)17-13-25-18-9-8-14(21(28)24-11-10-19(27)30-2)12-16(18)20(17)26-15-6-4-3-5-7-15;1-22-21(29)16-12-24-17-8-7-13(20(28)23-10-9-18(26)27)11-15(17)19(16)25-14-5-3-2-4-6-14;1-19-17(22)14-10-20-15-8-7-11(18(23)24)9-13(15)16(14)21-12-5-3-2-4-6-12;19-10-5-4-9(13(22)17-10)18-14(23)7-2-1-3-8(12(7)15(18)24)16-6-11(20)21;1-9(2,3)13-8(12)11-6-4-10-5-7-11;1-7-4(6)2-3-5;;;/h2-11,20-21,30,44H,12-19,22H2,1H3,(H,41,54)(H,42,53)(H,43,45)(H,46,50,55);5-11,18-19H,12-17H2,1-4H3,(H,31,39)(H,32,38)(H,33,34);3-9,12-13H,10-11H2,1-2H3,(H,23,29)(H,24,28)(H,25,26);2-8,11-12H,9-10H2,1H3,(H,22,29)(H,23,28)(H,24,25)(H,26,27);2-10H,1H3,(H,19,22)(H,20,21)(H,23,24);1-3,9,16H,4-6H2,(H,20,21)(H,17,19,22);10H,4-7H2,1-3H3;2-3,5H2,1H3;1H4;;1H2/q;;;;;;;;;+1;/p-1
• InChIKey: BTRXAALRGAXPDU-UHFFFAOYSA-M
• XLogP: 10.77
• TPSA: 930.22 Ų
• H-Bond Donors: 23
• H-Bond Acceptors: 46
• Rotatable Bonds: 42
• Heavy Atoms: 228
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3115.31
LogP ≤ 5	10.77
H-Bond Donors ≤ 5	23
H-Bond Acceptors ≤ 10	46

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of lithium;4-anilino-6-N-[3-[4-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetyl]piperazin-1-yl]-3-oxopropyl]-3-N-methylquinoline-3,6-dicarboxamide;3-[[4-anilino-3-(methylcarbamoyl)quinoline-6-carbonyl]amino]propanoic acid;4-anilino-3-(methylcarbamoyl)quinoline-6-carboxylic acid;tert-butyl 4-[3-[[4-anilino-3-(methylcarbamoyl)quinoline-6-carbonyl]amino]propanoyl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetic acid;methane;methyl 3-aminopropanoate;methyl 3-[[4-anilino-3-(methylcarbamoyl)quinoline-6-carbonyl]amino]propanoate;hydroxide?

The IUPAC name of lithium;4-anilino-6-N-[3-[4-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetyl]piperazin-1-yl]-3-oxopropyl]-3-N-methylquinoline-3,6-dicarboxamide;3-[[4-anilino-3-(methylcarbamoyl)quinoline-6-carbonyl]amino]propanoic acid;4-anilino-3-(methylcarbamoyl)quinoline-6-carboxylic acid;tert-butyl 4-[3-[[4-anilino-3-(methylcarbamoyl)quinoline-6-carbonyl]amino]propanoyl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetic acid;methane;methyl 3-aminopropanoate;methyl 3-[[4-anilino-3-(methylcarbamoyl)quinoline-6-carbonyl]amino]propanoate;hydroxide (CID 157459012) is lithium;4-anilino-6-N-[3-[4-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetyl]piperazin-1-yl]-3-oxopropyl]-3-N-methylquinoline-3,6-dicarboxamide;3-[[4-anilino-3-(methylcarbamoyl)quinoline-6-carbonyl]amino]propanoic acid;4-anilino-3-(methylcarbamoyl)quinoline-6-carboxylic acid;tert-butyl 4-[3-[[4-anilino-3-(methylcarbamoyl)quinoline-6-carbonyl]amino]propanoyl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetic acid;methane;methyl 3-aminopropanoate;methyl 3-[[4-anilino-3-(methylcarbamoyl)quinoline-6-carbonyl]amino]propanoate;hydroxide.

What is the SMILES notation for lithium;4-anilino-6-N-[3-[4-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetyl]piperazin-1-yl]-3-oxopropyl]-3-N-methylquinoline-3,6-dicarboxamide;3-[[4-anilino-3-(methylcarbamoyl)quinoline-6-carbonyl]amino]propanoic acid;4-anilino-3-(methylcarbamoyl)quinoline-6-carboxylic acid;tert-butyl 4-[3-[[4-anilino-3-(methylcarbamoyl)quinoline-6-carbonyl]amino]propanoyl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetic acid;methane;methyl 3-aminopropanoate;methyl 3-[[4-anilino-3-(methylcarbamoyl)quinoline-6-carbonyl]amino]propanoate;hydroxide?

The canonical SMILES for lithium;4-anilino-6-N-[3-[4-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetyl]piperazin-1-yl]-3-oxopropyl]-3-N-methylquinoline-3,6-dicarboxamide;3-[[4-anilino-3-(methylcarbamoyl)quinoline-6-carbonyl]amino]propanoic acid;4-anilino-3-(methylcarbamoyl)quinoline-6-carboxylic acid;tert-butyl 4-[3-[[4-anilino-3-(methylcarbamoyl)quinoline-6-carbonyl]amino]propanoyl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetic acid;methane;methyl 3-aminopropanoate;methyl 3-[[4-anilino-3-(methylcarbamoyl)quinoline-6-carbonyl]amino]propanoate;hydroxide is C.CC(C)(C)OC(=O)N1CCNCC1.CNC(=O)c1cnc2ccc(C(=O)NCCC(=O)N3CCN(C(=O)CNc4cccc5c4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)cc2c1Nc1ccccc1.CNC(=O)c1cnc2ccc(C(=O)NCCC(=O)N3CCN(C(=O)OC(C)(C)C)CC3)cc2c1Nc1ccccc1.CNC(=O)c1cnc2ccc(C(=O)NCCC(=O)O)cc2c1Nc1ccccc1.CNC(=O)c1cnc2ccc(C(=O)NCCC(=O)OC)cc2c1Nc1ccccc1.CNC(=O)c1cnc2ccc(C(=O)O)cc2c1Nc1ccccc1.COC(=O)CCN.O=C(O)CNc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O.[Li+].[OH-].

What is the InChIKey of lithium;4-anilino-6-N-[3-[4-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetyl]piperazin-1-yl]-3-oxopropyl]-3-N-methylquinoline-3,6-dicarboxamide;3-[[4-anilino-3-(methylcarbamoyl)quinoline-6-carbonyl]amino]propanoic acid;4-anilino-3-(methylcarbamoyl)quinoline-6-carboxylic acid;tert-butyl 4-[3-[[4-anilino-3-(methylcarbamoyl)quinoline-6-carbonyl]amino]propanoyl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetic acid;methane;methyl 3-aminopropanoate;methyl 3-[[4-anilino-3-(methylcarbamoyl)quinoline-6-carbonyl]amino]propanoate;hydroxide?

The InChIKey is BTRXAALRGAXPDU-UHFFFAOYSA-M. The full InChI is InChI=1S/C40H39N9O8.C30H36N6O5.C22H22N4O4.C21H20N4O4.C18H15N3O3.C15H13N3O6.C9H18N2O2.C4H9NO2.CH4.Li.H2O/c1-41-37(54)27-21-43-28-11-10-23(20-26(28)35(27)45-24-6-3-2-4-7-24)36(53)42-15-14-32(51)47-16-18-48(19-17-47)33(52)22-44-29-9-5-8-25-34(29)40(57)49(39(25)56)30-12-13-31(50)46-38(30)55;1-30(2,3)41-29(40)36-16-14-35(15-17-36)25(37)12-13-32-27(38)20-10-11-24-22(18-20)26(23(19-33-24)28(39)31-4)34-21-8-6-5-7-9-21;1-23-22(29)17-13-25-18-9-8-14(21(28)24-11-10-19(27)30-2)12-16(18)20(17)26-15-6-4-3-5-7-15;1-22-21(29)16-12-24-17-8-7-13(20(28)23-10-9-18(26)27)11-15(17)19(16)25-14-5-3-2-4-6-14;1-19-17(22)14-10-20-15-8-7-11(18(23)24)9-13(15)16(14)21-12-5-3-2-4-6-12;19-10-5-4-9(13(22)17-10)18-14(23)7-2-1-3-8(12(7)15(18)24)16-6-11(20)21;1-9(2,3)13-8(12)11-6-4-10-5-7-11;1-7-4(6)2-3-5;;;/h2-11,20-21,30,44H,12-19,22H2,1H3,(H,41,54)(H,42,53)(H,43,45)(H,46,50,55);5-11,18-19H,12-17H2,1-4H3,(H,31,39)(H,32,38)(H,33,34);3-9,12-13H,10-11H2,1-2H3,(H,23,29)(H,24,28)(H,25,26);2-8,11-12H,9-10H2,1H3,(H,22,29)(H,23,28)(H,24,25)(H,26,27);2-10H,1H3,(H,19,22)(H,20,21)(H,23,24);1-3,9,16H,4-6H2,(H,20,21)(H,17,19,22);10H,4-7H2,1-3H3;2-3,5H2,1H3;1H4;;1H2/q;;;;;;;;;+1;/p-1.

What are the key properties of lithium;4-anilino-6-N-[3-[4-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetyl]piperazin-1-yl]-3-oxopropyl]-3-N-methylquinoline-3,6-dicarboxamide;3-[[4-anilino-3-(methylcarbamoyl)quinoline-6-carbonyl]amino]propanoic acid;4-anilino-3-(methylcarbamoyl)quinoline-6-carboxylic acid;tert-butyl 4-[3-[[4-anilino-3-(methylcarbamoyl)quinoline-6-carbonyl]amino]propanoyl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetic acid;methane;methyl 3-aminopropanoate;methyl 3-[[4-anilino-3-(methylcarbamoyl)quinoline-6-carbonyl]amino]propanoate;hydroxide?

lithium;4-anilino-6-N-[3-[4-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetyl]piperazin-1-yl]-3-oxopropyl]-3-N-methylquinoline-3,6-dicarboxamide;3-[[4-anilino-3-(methylcarbamoyl)quinoline-6-carbonyl]amino]propanoic acid;4-anilino-3-(methylcarbamoyl)quinoline-6-carboxylic acid;tert-butyl 4-[3-[[4-anilino-3-(methylcarbamoyl)quinoline-6-carbonyl]amino]propanoyl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetic acid;methane;methyl 3-aminopropanoate;methyl 3-[[4-anilino-3-(methylcarbamoyl)quinoline-6-carbonyl]amino]propanoate;hydroxide has a molecular weight of 3115.31 g/mol, XLogP of 10.77, 42 rotatable bonds, 23 hydrogen bond donors, and 46 hydrogen bond acceptors.

Where does this data come from?

All data for lithium;4-anilino-6-N-[3-[4-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetyl]piperazin-1-yl]-3-oxopropyl]-3-N-methylquinoline-3,6-dicarboxamide;3-[[4-anilino-3-(methylcarbamoyl)quinoline-6-carbonyl]amino]propanoic acid;4-anilino-3-(methylcarbamoyl)quinoline-6-carboxylic acid;tert-butyl 4-[3-[[4-anilino-3-(methylcarbamoyl)quinoline-6-carbonyl]amino]propanoyl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetic acid;methane;methyl 3-aminopropanoate;methyl 3-[[4-anilino-3-(methylcarbamoyl)quinoline-6-carbonyl]amino]propanoate;hydroxide is sourced from PubChem (CID 157459012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).