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

C93H112N14O15 — CID 159896504

IUPAC4-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
SMILESCN(CC(=O)O)c1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O.CNC(=O)c1cnc2ccc(CCCCCCCCCCCNC(=O)CN(C)c3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4=O)cc2c1Nc1ccccc1.CNC(=O)c1cnc2ccc(CCCCCCCCCCCNC(=O)OC(C)(C)C)cc2c1Nc1ccccc1
InChIInChI=1S/C44H51N7O6.C33H46N4O3.C16H15N3O6/c1-45-41(54)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(53)28-50(2)35-20-15-19-31-39(35)44(57)51(43(31)56)36-23-24-37(52)49-42(36)55;1-33(2,3)40-32(39)35-22-16-11-9-7-5-6-8-10-13-17-25-20-21-29-27(23-25)30(28(24-36-29)31(38)34-4)37-26-18-14-12-15-19-26;1-18(7-12(21)22)9-4-2-3-8-13(9)16(25)19(15(8)24)10-5-6-11(20)17-14(10)23/h10,12-13,15,17-22,26-27,36H,3-9,11,14,16,23-25,28H2,1-2H3,(H,45,54)(H,46,53)(H,47,48)(H,49,52,55);12,14-15,18-21,23-24H,5-11,13,16-17,22H2,1-4H3,(H,34,38)(H,35,39)(H,36,37);2-4,10H,5-7H2,1H3,(H,21,22)(H,17,20,23)
InChIKeyNVKGLZACQAAJKZ-UHFFFAOYSA-N
MW1666.00 g/mol
LogP13.57
Rot. Bonds38

About 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

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 (PubChem CID 159896504) has the molecular formula C93H112N14O15 and a molecular weight of 1666.00 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-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
PubChem CID159896504
Molecular FormulaC93H112N14O15
Molecular Weight1666.00 g/mol
Exact Mass1664.84
IUPAC Name4-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
SMILESCN(CC(=O)O)c1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O.CNC(=O)c1cnc2ccc(CCCCCCCCCCCNC(=O)CN(C)c3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4=O)cc2c1Nc1ccccc1.CNC(=O)c1cnc2ccc(CCCCCCCCCCCNC(=O)OC(C)(C)C)cc2c1Nc1ccccc1
InChIInChI=1S/C44H51N7O6.C33H46N4O3.C16H15N3O6/c1-45-41(54)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(53)28-50(2)35-20-15-19-31-39(35)44(57)51(43(31)56)36-23-24-37(52)49-42(36)55;1-33(2,3)40-32(39)35-22-16-11-9-7-5-6-8-10-13-17-25-20-21-29-27(23-25)30(28(24-36-29)31(38)34-4)37-26-18-14-12-15-19-26;1-18(7-12(21)22)9-4-2-3-8-13(9)16(25)19(15(8)24)10-5-6-11(20)17-14(10)23/h10,12-13,15,17-22,26-27,36H,3-9,11,14,16,23-25,28H2,1-2H3,(H,45,54)(H,46,53)(H,47,48)(H,49,52,55);12,14-15,18-21,23-24H,5-11,13,16-17,22H2,1-4H3,(H,34,38)(H,35,39)(H,36,37);2-4,10H,5-7H2,1H3,(H,21,22)(H,17,20,23)
InChIKeyNVKGLZACQAAJKZ-UHFFFAOYSA-N
XLogP13.57
TPSA386.35 Ų
H-Bond Donors9
H-Bond Acceptors20
Rotatable Bonds38
Heavy Atoms122
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001666.00
LogP ≤ 513.57
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]-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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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-[[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-[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-[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-[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
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-[11-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]-2-oxoundecyl]quinoline-3-carboxamide
CID 159085325
4-anilino-6-[4-(4-formamidobutylcarbamoyl)phenyl]quinoline-3-carboxamide;2-(2,6-dioxopiperidin-3-yl)-4-[ethyl(methyl)amino]isoindole-1,3-dione
CID 169241702
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
4-anilino-6-[4-[8-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]octylcarbamoyl]phenyl]-N-methylquinoline-3-carboxamide
CID 149051432
2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]-methylamino]-N-methylacetamide
CID 71211499
tert-butyl N-[4-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]butyl]carbamate
CID 131999803

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]-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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CN(CC(=O)O)c1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O.CNC(=O)c1cnc2ccc(CCCCCCCCCCCNC(=O)CN(C)c3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4=O)cc2c1Nc1ccccc1.CNC(=O)c1cnc2ccc(CCCCCCCCCCCNC(=O)OC(C)(C)C)cc2c1Nc1ccccc1.
What is the InChIKey of 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?
The InChIKey is NVKGLZACQAAJKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H51N7O6.C33H46N4O3.C16H15N3O6/c1-45-41(54)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(53)28-50(2)35-20-15-19-31-39(35)44(57)51(43(31)56)36-23-24-37(52)49-42(36)55;1-33(2,3)40-32(39)35-22-16-11-9-7-5-6-8-10-13-17-25-20-21-29-27(23-25)30(28(24-36-29)31(38)34-4)37-26-18-14-12-15-19-26;1-18(7-12(21)22)9-4-2-3-8-13(9)16(25)19(15(8)24)10-5-6-11(20)17-14(10)23/h10,12-13,15,17-22,26-27,36H,3-9,11,14,16,23-25,28H2,1-2H3,(H,45,54)(H,46,53)(H,47,48)(H,49,52,55);12,14-15,18-21,23-24H,5-11,13,16-17,22H2,1-4H3,(H,34,38)(H,35,39)(H,36,37);2-4,10H,5-7H2,1H3,(H,21,22)(H,17,20,23).
What are the key properties of 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?
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 has a molecular weight of 1666.00 g/mol, XLogP of 13.57, 38 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]-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 is sourced from PubChem (CID 159896504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).