4-anilino-6-[11-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]undecyl]-N-ethylquinoline-3-carboxamide;tert-butyl N-[11-[4-anilino-3-(ethylcarbamoyl)quinolin-6-yl]undecyl]carbamate;2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetic acid

C93H110N12O17 — CID 161220342

IUPAC4-anilino-6-[11-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]undecyl]-N-ethylquinoline-3-carboxamide;tert-butyl N-[11-[4-anilino-3-(ethylcarbamoyl)quinolin-6-yl]undecyl]carbamate;2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetic acid
SMILESCCNC(=O)c1cnc2ccc(CCCCCCCCCCCNC(=O)COc3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4=O)cc2c1Nc1ccccc1.CCNC(=O)c1cnc2ccc(CCCCCCCCCCCNC(=O)OC(C)(C)C)cc2c1Nc1ccccc1.O=C(O)COc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O
InChIInChI=1S/C44H50N6O7.C34H48N4O3.C15H12N2O7/c1-2-45-41(53)33-27-47-34-22-21-29(26-32(34)40(33)48-30-17-12-10-13-18-30)16-11-8-6-4-3-5-7-9-14-25-46-38(52)28-57-36-20-15-19-31-39(36)44(56)50(43(31)55)35-23-24-37(51)49-42(35)54;1-5-35-32(39)29-25-37-30-22-21-26(24-28(30)31(29)38-27-19-15-13-16-20-27)18-14-11-9-7-6-8-10-12-17-23-36-33(40)41-34(2,3)4;18-10-5-4-8(13(21)16-10)17-14(22)7-2-1-3-9(12(7)15(17)23)24-6-11(19)20/h10,12-13,15,17-22,26-27,35H,2-9,11,14,16,23-25,28H2,1H3,(H,45,53)(H,46,52)(H,47,48)(H,49,51,54);13,15-16,19-22,24-25H,5-12,14,17-18,23H2,1-4H3,(H,35,39)(H,36,40)(H,37,38);1-3,8H,4-6H2,(H,19,20)(H,16,18,21)
InChIKeyUXKLXFZFLAPGTC-UHFFFAOYSA-N
MW1667.97 g/mol
LogP14.24
Rot. Bonds40

About 4-anilino-6-[11-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]undecyl]-N-ethylquinoline-3-carboxamide;tert-butyl N-[11-[4-anilino-3-(ethylcarbamoyl)quinolin-6-yl]undecyl]carbamate;2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetic acid

4-anilino-6-[11-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]undecyl]-N-ethylquinoline-3-carboxamide;tert-butyl N-[11-[4-anilino-3-(ethylcarbamoyl)quinolin-6-yl]undecyl]carbamate;2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetic acid (PubChem CID 161220342) has the molecular formula C93H110N12O17 and a molecular weight of 1667.97 g/mol. Its IUPAC name is 4-anilino-6-[11-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]undecyl]-N-ethylquinoline-3-carboxamide;tert-butyl N-[11-[4-anilino-3-(ethylcarbamoyl)quinolin-6-yl]undecyl]carbamate;2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetic acid.

Molecular Properties

Compound Name4-anilino-6-[11-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]undecyl]-N-ethylquinoline-3-carboxamide;tert-butyl N-[11-[4-anilino-3-(ethylcarbamoyl)quinolin-6-yl]undecyl]carbamate;2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetic acid
PubChem CID161220342
Molecular FormulaC93H110N12O17
Molecular Weight1667.97 g/mol
Exact Mass1666.81
IUPAC Name4-anilino-6-[11-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]undecyl]-N-ethylquinoline-3-carboxamide;tert-butyl N-[11-[4-anilino-3-(ethylcarbamoyl)quinolin-6-yl]undecyl]carbamate;2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetic acid
SMILESCCNC(=O)c1cnc2ccc(CCCCCCCCCCCNC(=O)COc3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4=O)cc2c1Nc1ccccc1.CCNC(=O)c1cnc2ccc(CCCCCCCCCCCNC(=O)OC(C)(C)C)cc2c1Nc1ccccc1.O=C(O)COc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O
InChIInChI=1S/C44H50N6O7.C34H48N4O3.C15H12N2O7/c1-2-45-41(53)33-27-47-34-22-21-29(26-32(34)40(33)48-30-17-12-10-13-18-30)16-11-8-6-4-3-5-7-9-14-25-46-38(52)28-57-36-20-15-19-31-39(36)44(56)50(43(31)55)35-23-24-37(51)49-42(35)54;1-5-35-32(39)29-25-37-30-22-21-26(24-28(30)31(29)38-27-19-15-13-16-20-27)18-14-11-9-7-6-8-10-12-17-23-36-33(40)41-34(2,3)4;18-10-5-4-8(13(21)16-10)17-14(22)7-2-1-3-9(12(7)15(17)23)24-6-11(19)20/h10,12-13,15,17-22,26-27,35H,2-9,11,14,16,23-25,28H2,1H3,(H,45,53)(H,46,52)(H,47,48)(H,49,51,54);13,15-16,19-22,24-25H,5-12,14,17-18,23H2,1-4H3,(H,35,39)(H,36,40)(H,37,38);1-3,8H,4-6H2,(H,19,20)(H,16,18,21)
InChIKeyUXKLXFZFLAPGTC-UHFFFAOYSA-N
XLogP14.24
TPSA398.33 Ų
H-Bond Donors9
H-Bond Acceptors20
Rotatable Bonds40
Heavy Atoms122
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001667.97
LogP ≤ 514.24
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

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

Analyze 4-anilino-6-[11-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]undecyl]-N-ethylquinoline-3-carboxamide;tert-butyl N-[11-[4-anilino-3-(ethylcarbamoyl)quinolin-6-yl]undecyl]carbamate;2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetic acid with MolForge

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Related Compounds

4-anilino-6-[[9-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]nonanoylamino]methyl]-N-methylquinoline-3-carboxamide;tert-butyl N-[9-[[4-anilino-3-(methylcarbamoyl)quinolin-6-yl]methylamino]-9-oxononyl]carbamate;2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetic acid
CID 159719280
4-anilino-6-[11-[[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]-methylamino]acetyl]amino]undecyl]-N-methylquinoline-3-carboxamide;tert-butyl N-[11-[4-anilino-3-(methylcarbamoyl)quinolin-6-yl]undecyl]carbamate;2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]-methylamino]acetic acid
CID 159896504
4-anilino-6-[10-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]decylamino]-N-methylquinoline-3-carboxamide
CID 156535527
4-anilino-6-[11-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]-2-oxoundecyl]quinoline-3-carboxamide
CID 159085325
6-(11-aminoundecyl)-N-methyl-4-[(1-methylpiperidin-4-yl)amino]quinoline-3-carboxamide;2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetic acid;6-[11-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]undecyl]-N-methyl-4-[(1-methylpiperidin-4-yl)amino]quinoline-3-carboxamide
CID 158174450
tert-butyl N-[4-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]butyl]carbamate
CID 131999803
4-anilino-6-[1-[4-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]butylcarbamoyl]piperidin-4-yl]quinoline-3-carboxamide
CID 156535579
4-anilino-6-[N-[10-[[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetyl]amino]decyl]anilino]-N-methylquinoline-3-carboxamide
CID 156579393
N-(4-anilinoquinolin-6-yl)-10-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]decanamide
CID 156535636
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
12-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]dodecanoic acid
CID 168679816
4-anilino-6-[4-[[7-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-6-oxoheptyl]carbamoyl]-3-methylphenyl]-N-methylquinoline-3-carboxamide
CID 160671525

Frequently Asked Questions

What is the IUPAC name of 4-anilino-6-[11-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]undecyl]-N-ethylquinoline-3-carboxamide;tert-butyl N-[11-[4-anilino-3-(ethylcarbamoyl)quinolin-6-yl]undecyl]carbamate;2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetic acid?
The IUPAC name of 4-anilino-6-[11-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]undecyl]-N-ethylquinoline-3-carboxamide;tert-butyl N-[11-[4-anilino-3-(ethylcarbamoyl)quinolin-6-yl]undecyl]carbamate;2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetic acid (CID 161220342) is 4-anilino-6-[11-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]undecyl]-N-ethylquinoline-3-carboxamide;tert-butyl N-[11-[4-anilino-3-(ethylcarbamoyl)quinolin-6-yl]undecyl]carbamate;2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetic acid.
What is the SMILES notation for 4-anilino-6-[11-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]undecyl]-N-ethylquinoline-3-carboxamide;tert-butyl N-[11-[4-anilino-3-(ethylcarbamoyl)quinolin-6-yl]undecyl]carbamate;2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetic acid?
The canonical SMILES for 4-anilino-6-[11-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]undecyl]-N-ethylquinoline-3-carboxamide;tert-butyl N-[11-[4-anilino-3-(ethylcarbamoyl)quinolin-6-yl]undecyl]carbamate;2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetic acid is CCNC(=O)c1cnc2ccc(CCCCCCCCCCCNC(=O)COc3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4=O)cc2c1Nc1ccccc1.CCNC(=O)c1cnc2ccc(CCCCCCCCCCCNC(=O)OC(C)(C)C)cc2c1Nc1ccccc1.O=C(O)COc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O.
What is the InChIKey of 4-anilino-6-[11-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]undecyl]-N-ethylquinoline-3-carboxamide;tert-butyl N-[11-[4-anilino-3-(ethylcarbamoyl)quinolin-6-yl]undecyl]carbamate;2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetic acid?
The InChIKey is UXKLXFZFLAPGTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H50N6O7.C34H48N4O3.C15H12N2O7/c1-2-45-41(53)33-27-47-34-22-21-29(26-32(34)40(33)48-30-17-12-10-13-18-30)16-11-8-6-4-3-5-7-9-14-25-46-38(52)28-57-36-20-15-19-31-39(36)44(56)50(43(31)55)35-23-24-37(51)49-42(35)54;1-5-35-32(39)29-25-37-30-22-21-26(24-28(30)31(29)38-27-19-15-13-16-20-27)18-14-11-9-7-6-8-10-12-17-23-36-33(40)41-34(2,3)4;18-10-5-4-8(13(21)16-10)17-14(22)7-2-1-3-9(12(7)15(17)23)24-6-11(19)20/h10,12-13,15,17-22,26-27,35H,2-9,11,14,16,23-25,28H2,1H3,(H,45,53)(H,46,52)(H,47,48)(H,49,51,54);13,15-16,19-22,24-25H,5-12,14,17-18,23H2,1-4H3,(H,35,39)(H,36,40)(H,37,38);1-3,8H,4-6H2,(H,19,20)(H,16,18,21).
What are the key properties of 4-anilino-6-[11-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]undecyl]-N-ethylquinoline-3-carboxamide;tert-butyl N-[11-[4-anilino-3-(ethylcarbamoyl)quinolin-6-yl]undecyl]carbamate;2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetic acid?
4-anilino-6-[11-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]undecyl]-N-ethylquinoline-3-carboxamide;tert-butyl N-[11-[4-anilino-3-(ethylcarbamoyl)quinolin-6-yl]undecyl]carbamate;2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetic acid has a molecular weight of 1667.97 g/mol, XLogP of 14.24, 40 rotatable bonds, 9 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 4-anilino-6-[11-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]undecyl]-N-ethylquinoline-3-carboxamide;tert-butyl N-[11-[4-anilino-3-(ethylcarbamoyl)quinolin-6-yl]undecyl]carbamate;2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetic acid is sourced from PubChem (CID 161220342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).