4-anilino-6-[4-[6-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propanoylamino]hexanoyl]-1,3-thiazol-2-yl]-N-methylquinoline-3-carboxamide;tert-butyl N-[6-[2-[4-anilino-3-(methylcarbamoyl)quinolin-6-yl]-1,3-thiazol-4-yl]-6-oxohexyl]carbamate;2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetic acid

C88H87N15O17S2 — CID 157193118

About 4-anilino-6-[4-[6-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propanoylamino]hexanoyl]-1,3-thiazol-2-yl]-N-methylquinoline-3-carboxamide;tert-butyl N-[6-[2-[4-anilino-3-(methylcarbamoyl)quinolin-6-yl]-1,3-thiazol-4-yl]-6-oxohexyl]carbamate;2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetic acid

4-anilino-6-[4-[6-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propanoylamino]hexanoyl]-1,3-thiazol-2-yl]-N-methylquinoline-3-carboxamide;tert-butyl N-[6-[2-[4-anilino-3-(methylcarbamoyl)quinolin-6-yl]-1,3-thiazol-4-yl]-6-oxohexyl]carbamate;2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetic acid (PubChem CID 157193118) has the molecular formula C88H87N15O17S2 and a molecular weight of 1690.89 g/mol. Its IUPAC name is 4-anilino-6-[4-[6-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propanoylamino]hexanoyl]-1,3-thiazol-2-yl]-N-methylquinoline-3-carboxamide;tert-butyl N-[6-[2-[4-anilino-3-(methylcarbamoyl)quinolin-6-yl]-1,3-thiazol-4-yl]-6-oxohexyl]carbamate;2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetic acid.

Molecular Properties

• Compound Name: 4-anilino-6-[4-[6-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propanoylamino]hexanoyl]-1,3-thiazol-2-yl]-N-methylquinoline-3-carboxamide;tert-butyl N-[6-[2-[4-anilino-3-(methylcarbamoyl)quinolin-6-yl]-1,3-thiazol-4-yl]-6-oxohexyl]carbamate;2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetic acid
• PubChem CID: 157193118
• Molecular Formula: C88H87N15O17S2
• Molecular Weight: 1690.89 g/mol
• Exact Mass: 1689.58
• IUPAC Name: 4-anilino-6-[4-[6-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propanoylamino]hexanoyl]-1,3-thiazol-2-yl]-N-methylquinoline-3-carboxamide;tert-butyl N-[6-[2-[4-anilino-3-(methylcarbamoyl)quinolin-6-yl]-1,3-thiazol-4-yl]-6-oxohexyl]carbamate;2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetic acid
• SMILES: CNC(=O)c1cnc2ccc(-c3nc(C(=O)CCCCCNC(=O)CCc4cccc5c4C(=O)N(C4CCC(=O)NC4=O)C5=O)cs3)cc2c1Nc1ccccc1.CNC(=O)c1cnc2ccc(-c3nc(C(=O)CCCCCNC(=O)OC(C)(C)C)cs3)cc2c1Nc1ccccc1.O=C(O)CNc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O
• InChI: InChI=1S/C42H39N7O7S.C31H35N5O4S.C15H13N3O6/c1-43-38(53)29-22-45-30-16-14-25(21-28(30)37(29)46-26-10-4-2-5-11-26)40-47-31(23-57-40)33(50)13-6-3-7-20-44-34(51)18-15-24-9-8-12-27-36(24)42(56)49(41(27)55)32-17-19-35(52)48-39(32)54;1-31(2,3)40-30(39)33-16-10-6-9-13-26(37)25-19-41-29(36-25)20-14-15-24-22(17-20)27(23(18-34-24)28(38)32-4)35-21-11-7-5-8-12-21;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/h2,4-5,8-12,14,16,21-23,32H,3,6-7,13,15,17-20H2,1H3,(H,43,53)(H,44,51)(H,45,46)(H,48,52,54);5,7-8,11-12,14-15,17-19H,6,9-10,13,16H2,1-4H3,(H,32,38)(H,33,39)(H,34,35);1-3,9,16H,4-6H2,(H,20,21)(H,17,19,22)
• InChIKey: APXUXOAQRSADIF-UHFFFAOYSA-N
• XLogP: 11.67
• TPSA: 451.82 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 25
• Rotatable Bonds: 30
• Heavy Atoms: 122
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1690.89
LogP ≤ 5	11.67
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-anilino-6-[4-[6-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propanoylamino]hexanoyl]-1,3-thiazol-2-yl]-N-methylquinoline-3-carboxamide;tert-butyl N-[6-[2-[4-anilino-3-(methylcarbamoyl)quinolin-6-yl]-1,3-thiazol-4-yl]-6-oxohexyl]carbamate;2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetic acid?

The IUPAC name of 4-anilino-6-[4-[6-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propanoylamino]hexanoyl]-1,3-thiazol-2-yl]-N-methylquinoline-3-carboxamide;tert-butyl N-[6-[2-[4-anilino-3-(methylcarbamoyl)quinolin-6-yl]-1,3-thiazol-4-yl]-6-oxohexyl]carbamate;2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetic acid (CID 157193118) is 4-anilino-6-[4-[6-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propanoylamino]hexanoyl]-1,3-thiazol-2-yl]-N-methylquinoline-3-carboxamide;tert-butyl N-[6-[2-[4-anilino-3-(methylcarbamoyl)quinolin-6-yl]-1,3-thiazol-4-yl]-6-oxohexyl]carbamate;2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetic acid.

What is the SMILES notation for 4-anilino-6-[4-[6-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propanoylamino]hexanoyl]-1,3-thiazol-2-yl]-N-methylquinoline-3-carboxamide;tert-butyl N-[6-[2-[4-anilino-3-(methylcarbamoyl)quinolin-6-yl]-1,3-thiazol-4-yl]-6-oxohexyl]carbamate;2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetic acid?

The canonical SMILES for 4-anilino-6-[4-[6-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propanoylamino]hexanoyl]-1,3-thiazol-2-yl]-N-methylquinoline-3-carboxamide;tert-butyl N-[6-[2-[4-anilino-3-(methylcarbamoyl)quinolin-6-yl]-1,3-thiazol-4-yl]-6-oxohexyl]carbamate;2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetic acid is CNC(=O)c1cnc2ccc(-c3nc(C(=O)CCCCCNC(=O)CCc4cccc5c4C(=O)N(C4CCC(=O)NC4=O)C5=O)cs3)cc2c1Nc1ccccc1.CNC(=O)c1cnc2ccc(-c3nc(C(=O)CCCCCNC(=O)OC(C)(C)C)cs3)cc2c1Nc1ccccc1.O=C(O)CNc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O.

What is the InChIKey of 4-anilino-6-[4-[6-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propanoylamino]hexanoyl]-1,3-thiazol-2-yl]-N-methylquinoline-3-carboxamide;tert-butyl N-[6-[2-[4-anilino-3-(methylcarbamoyl)quinolin-6-yl]-1,3-thiazol-4-yl]-6-oxohexyl]carbamate;2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetic acid?

The InChIKey is APXUXOAQRSADIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H39N7O7S.C31H35N5O4S.C15H13N3O6/c1-43-38(53)29-22-45-30-16-14-25(21-28(30)37(29)46-26-10-4-2-5-11-26)40-47-31(23-57-40)33(50)13-6-3-7-20-44-34(51)18-15-24-9-8-12-27-36(24)42(56)49(41(27)55)32-17-19-35(52)48-39(32)54;1-31(2,3)40-30(39)33-16-10-6-9-13-26(37)25-19-41-29(36-25)20-14-15-24-22(17-20)27(23(18-34-24)28(38)32-4)35-21-11-7-5-8-12-21;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/h2,4-5,8-12,14,16,21-23,32H,3,6-7,13,15,17-20H2,1H3,(H,43,53)(H,44,51)(H,45,46)(H,48,52,54);5,7-8,11-12,14-15,17-19H,6,9-10,13,16H2,1-4H3,(H,32,38)(H,33,39)(H,34,35);1-3,9,16H,4-6H2,(H,20,21)(H,17,19,22).

What are the key properties of 4-anilino-6-[4-[6-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propanoylamino]hexanoyl]-1,3-thiazol-2-yl]-N-methylquinoline-3-carboxamide;tert-butyl N-[6-[2-[4-anilino-3-(methylcarbamoyl)quinolin-6-yl]-1,3-thiazol-4-yl]-6-oxohexyl]carbamate;2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetic acid?

4-anilino-6-[4-[6-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propanoylamino]hexanoyl]-1,3-thiazol-2-yl]-N-methylquinoline-3-carboxamide;tert-butyl N-[6-[2-[4-anilino-3-(methylcarbamoyl)quinolin-6-yl]-1,3-thiazol-4-yl]-6-oxohexyl]carbamate;2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetic acid has a molecular weight of 1690.89 g/mol, XLogP of 11.67, 30 rotatable bonds, 10 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 4-anilino-6-[4-[6-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propanoylamino]hexanoyl]-1,3-thiazol-2-yl]-N-methylquinoline-3-carboxamide;tert-butyl N-[6-[2-[4-anilino-3-(methylcarbamoyl)quinolin-6-yl]-1,3-thiazol-4-yl]-6-oxohexyl]carbamate;2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetic acid is sourced from PubChem (CID 157193118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).