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

C89H100N14O19 — CID 159719280

IUPAC4-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
SMILESCNC(=O)c1cnc2ccc(CNC(=O)CCCCCCCCNC(=O)COc3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4=O)cc2c1Nc1ccccc1.CNC(=O)c1cnc2ccc(CNC(=O)CCCCCCCCNC(=O)OC(C)(C)C)cc2c1Nc1ccccc1.O=C(O)COc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O
InChIInChI=1S/C42H45N7O8.C32H43N5O4.C15H12N2O7/c1-43-39(53)30-24-45-31-18-17-26(22-29(31)38(30)47-27-12-7-6-8-13-27)23-46-34(50)16-9-4-2-3-5-10-21-44-36(52)25-57-33-15-11-14-28-37(33)42(56)49(41(28)55)32-19-20-35(51)48-40(32)54;1-32(2,3)41-31(40)34-19-13-8-6-5-7-12-16-28(38)36-21-23-17-18-27-25(20-23)29(26(22-35-27)30(39)33-4)37-24-14-10-9-11-15-24;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/h6-8,11-15,17-18,22,24,32H,2-5,9-10,16,19-21,23,25H2,1H3,(H,43,53)(H,44,52)(H,45,47)(H,46,50)(H,48,51,54);9-11,14-15,17-18,20,22H,5-8,12-13,16,19,21H2,1-4H3,(H,33,39)(H,34,40)(H,35,37)(H,36,38);1-3,8H,4-6H2,(H,19,20)(H,16,18,21)
InChIKeyMZVCBOYIHMORSY-UHFFFAOYSA-N
MW1669.86 g/mol
LogP10.04
Rot. Bonds36

About 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

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 (PubChem CID 159719280) has the molecular formula C89H100N14O19 and a molecular weight of 1669.86 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-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
PubChem CID159719280
Molecular FormulaC89H100N14O19
Molecular Weight1669.86 g/mol
Exact Mass1668.73
IUPAC Name4-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
SMILESCNC(=O)c1cnc2ccc(CNC(=O)CCCCCCCCNC(=O)COc3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4=O)cc2c1Nc1ccccc1.CNC(=O)c1cnc2ccc(CNC(=O)CCCCCCCCNC(=O)OC(C)(C)C)cc2c1Nc1ccccc1.O=C(O)COc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O
InChIInChI=1S/C42H45N7O8.C32H43N5O4.C15H12N2O7/c1-43-39(53)30-24-45-31-18-17-26(22-29(31)38(30)47-27-12-7-6-8-13-27)23-46-34(50)16-9-4-2-3-5-10-21-44-36(52)25-57-33-15-11-14-28-37(33)42(56)49(41(28)55)32-19-20-35(51)48-40(32)54;1-32(2,3)41-31(40)34-19-13-8-6-5-7-12-16-28(38)36-21-23-17-18-27-25(20-23)29(26(22-35-27)30(39)33-4)37-24-14-10-9-11-15-24;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/h6-8,11-15,17-18,22,24,32H,2-5,9-10,16,19-21,23,25H2,1H3,(H,43,53)(H,44,52)(H,45,47)(H,46,50)(H,48,51,54);9-11,14-15,17-18,20,22H,5-8,12-13,16,19,21H2,1-4H3,(H,33,39)(H,34,40)(H,35,37)(H,36,38);1-3,8H,4-6H2,(H,19,20)(H,16,18,21)
InChIKeyMZVCBOYIHMORSY-UHFFFAOYSA-N
XLogP10.04
TPSA456.53 Ų
H-Bond Donors11
H-Bond Acceptors22
Rotatable Bonds36
Heavy Atoms122
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001669.86
LogP ≤ 510.04
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

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
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]-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-[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
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
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-[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
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
6-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]-N-methylhexanamide
CID 155279746
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
N-(4-anilinoquinolin-6-yl)-10-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]decanamide
CID 156535636

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CNC(=O)c1cnc2ccc(CNC(=O)CCCCCCCCNC(=O)COc3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4=O)cc2c1Nc1ccccc1.CNC(=O)c1cnc2ccc(CNC(=O)CCCCCCCCNC(=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-[[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?
The InChIKey is MZVCBOYIHMORSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H45N7O8.C32H43N5O4.C15H12N2O7/c1-43-39(53)30-24-45-31-18-17-26(22-29(31)38(30)47-27-12-7-6-8-13-27)23-46-34(50)16-9-4-2-3-5-10-21-44-36(52)25-57-33-15-11-14-28-37(33)42(56)49(41(28)55)32-19-20-35(51)48-40(32)54;1-32(2,3)41-31(40)34-19-13-8-6-5-7-12-16-28(38)36-21-23-17-18-27-25(20-23)29(26(22-35-27)30(39)33-4)37-24-14-10-9-11-15-24;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/h6-8,11-15,17-18,22,24,32H,2-5,9-10,16,19-21,23,25H2,1H3,(H,43,53)(H,44,52)(H,45,47)(H,46,50)(H,48,51,54);9-11,14-15,17-18,20,22H,5-8,12-13,16,19,21H2,1-4H3,(H,33,39)(H,34,40)(H,35,37)(H,36,38);1-3,8H,4-6H2,(H,19,20)(H,16,18,21).
What are the key properties of 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?
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 has a molecular weight of 1669.86 g/mol, XLogP of 10.04, 36 rotatable bonds, 11 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159719280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).