4-anilino-6-[4-[4-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]piperazin-1-yl]butylcarbamoyl]phenyl]-N-methylquinoline-3-carboxamide;4-[4-anilino-3-(methylcarbamoyl)quinolin-6-yl]benzoic acid;tert-butyl N-[4-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]piperazin-1-yl]butyl]carbamate

C95H98N16O15 — CID 157465508

IUPAC4-anilino-6-[4-[4-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]piperazin-1-yl]butylcarbamoyl]phenyl]-N-methylquinoline-3-carboxamide;4-[4-anilino-3-(methylcarbamoyl)quinolin-6-yl]benzoic acid;tert-butyl N-[4-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]piperazin-1-yl]butyl]carbamate
SMILESCC(C)(C)OC(=O)NCCCCN1CCN(c2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1.CNC(=O)c1cnc2ccc(-c3ccc(C(=O)NCCCCN4CCN(c5cccc6c5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)cc3)cc2c1Nc1ccccc1.CNC(=O)c1cnc2ccc(-c3ccc(C(=O)O)cc3)cc2c1Nc1ccccc1
InChIInChI=1S/C45H44N8O6.C26H35N5O6.C24H19N3O3/c1-46-42(56)34-27-48-35-17-16-30(26-33(35)40(34)49-31-8-3-2-4-9-31)28-12-14-29(15-13-28)41(55)47-20-5-6-21-51-22-24-52(25-23-51)36-11-7-10-32-39(36)45(59)53(44(32)58)37-18-19-38(54)50-43(37)57;1-26(2,3)37-25(36)27-11-4-5-12-29-13-15-30(16-14-29)18-8-6-7-17-21(18)24(35)31(23(17)34)19-9-10-20(32)28-22(19)33;1-25-23(28)20-14-26-21-12-11-17(15-7-9-16(10-8-15)24(29)30)13-19(21)22(20)27-18-5-3-2-4-6-18/h2-4,7-17,26-27,37H,5-6,18-25H2,1H3,(H,46,56)(H,47,55)(H,48,49)(H,50,54,57);6-8,19H,4-5,9-16H2,1-3H3,(H,27,36)(H,28,32,33);2-14H,1H3,(H,25,28)(H,26,27)(H,29,30)
InChIKeyBUKRVBDNWUFVBH-UHFFFAOYSA-N
MW1703.93 g/mol
LogP10.96
Rot. Bonds24

About 4-anilino-6-[4-[4-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]piperazin-1-yl]butylcarbamoyl]phenyl]-N-methylquinoline-3-carboxamide;4-[4-anilino-3-(methylcarbamoyl)quinolin-6-yl]benzoic acid;tert-butyl N-[4-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]piperazin-1-yl]butyl]carbamate

4-anilino-6-[4-[4-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]piperazin-1-yl]butylcarbamoyl]phenyl]-N-methylquinoline-3-carboxamide;4-[4-anilino-3-(methylcarbamoyl)quinolin-6-yl]benzoic acid;tert-butyl N-[4-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]piperazin-1-yl]butyl]carbamate (PubChem CID 157465508) has the molecular formula C95H98N16O15 and a molecular weight of 1703.93 g/mol. Its IUPAC name is 4-anilino-6-[4-[4-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]piperazin-1-yl]butylcarbamoyl]phenyl]-N-methylquinoline-3-carboxamide;4-[4-anilino-3-(methylcarbamoyl)quinolin-6-yl]benzoic acid;tert-butyl N-[4-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]piperazin-1-yl]butyl]carbamate.

Molecular Properties

Compound Name4-anilino-6-[4-[4-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]piperazin-1-yl]butylcarbamoyl]phenyl]-N-methylquinoline-3-carboxamide;4-[4-anilino-3-(methylcarbamoyl)quinolin-6-yl]benzoic acid;tert-butyl N-[4-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]piperazin-1-yl]butyl]carbamate
PubChem CID157465508
Molecular FormulaC95H98N16O15
Molecular Weight1703.93 g/mol
Exact Mass1702.74
IUPAC Name4-anilino-6-[4-[4-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]piperazin-1-yl]butylcarbamoyl]phenyl]-N-methylquinoline-3-carboxamide;4-[4-anilino-3-(methylcarbamoyl)quinolin-6-yl]benzoic acid;tert-butyl N-[4-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]piperazin-1-yl]butyl]carbamate
SMILESCC(C)(C)OC(=O)NCCCCN1CCN(c2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1.CNC(=O)c1cnc2ccc(-c3ccc(C(=O)NCCCCN4CCN(c5cccc6c5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)cc3)cc2c1Nc1ccccc1.CNC(=O)c1cnc2ccc(-c3ccc(C(=O)O)cc3)cc2c1Nc1ccccc1
InChIInChI=1S/C45H44N8O6.C26H35N5O6.C24H19N3O3/c1-46-42(56)34-27-48-35-17-16-30(26-33(35)40(34)49-31-8-3-2-4-9-31)28-12-14-29(15-13-28)41(55)47-20-5-6-21-51-22-24-52(25-23-51)36-11-7-10-32-39(36)45(59)53(44(32)58)37-18-19-38(54)50-43(37)57;1-26(2,3)37-25(36)27-11-4-5-12-29-13-15-30(16-14-29)18-8-6-7-17-21(18)24(35)31(23(17)34)19-9-10-20(32)28-22(19)33;1-25-23(28)20-14-26-21-12-11-17(15-7-9-16(10-8-15)24(29)30)13-19(21)22(20)27-18-5-3-2-4-6-18/h2-4,7-17,26-27,37H,5-6,18-25H2,1H3,(H,46,56)(H,47,55)(H,48,49)(H,50,54,57);6-8,19H,4-5,9-16H2,1-3H3,(H,27,36)(H,28,32,33);2-14H,1H3,(H,25,28)(H,26,27)(H,29,30)
InChIKeyBUKRVBDNWUFVBH-UHFFFAOYSA-N
XLogP10.96
TPSA392.83 Ų
H-Bond Donors9
H-Bond Acceptors22
Rotatable Bonds24
Heavy Atoms126
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001703.93
LogP ≤ 510.96
H-Bond Donors ≤ 59
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-[4-[4-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]piperazin-1-yl]butylcarbamoyl]phenyl]-N-methylquinoline-3-carboxamide;4-[4-anilino-3-(methylcarbamoyl)quinolin-6-yl]benzoic acid;tert-butyl N-[4-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]piperazin-1-yl]butyl]carbamate with MolForge

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Related Compounds

4-anilino-N-cyclopropyl-6-[4-[4-[4-[1-[[2-(2,6-dioxopiperidin-3-yl)-1-hydroxy-3-oxo-1H-isoindol-4-yl]amino]ethyl]triazol-1-yl]butylcarbamoyl]-3-fluorophenyl]-7-fluoroquinoline-3-carboxamide
CID 153542810
N-[3-[4-[[[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]spiro[3.5]nonan-7-yl]-methylamino]methyl]cyclohexyl]-7-(2-hydroxypropan-2-yl)isoquinolin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 155449223
N-[3-[4-[[3-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propoxy]propyl-methylamino]methyl]cyclohexyl]-7-(2-hydroxypropan-2-yl)isoquinolin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 155449250
N-[2-[4-[[[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]cyclohexyl]-methylamino]methyl]cyclohexyl]-6-(2-hydroxypropan-2-yl)indazol-5-yl]-6-(2-fluoropropan-2-yl)pyridine-2-carboxamide
CID 155449322
N-[2-[4-[[[4-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]cyclohexyl]-methylamino]methyl]cyclohexyl]-6-(2-hydroxypropan-2-yl)indazol-5-yl]-6-(2-fluoropropan-2-yl)pyridine-2-carboxamide
CID 155449324
6-[4-(4-aminobutylcarbamoyl)-3-fluorophenyl]-N-cyclopropyl-4-(methylamino)-7-(trifluoromethyl)quinoline-3-carboxamide;N-cyclopropyl-6-[4-[4-[[(2R)-2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]-methylamino]propanoyl]amino]butylcarbamoyl]-3-fluorophenyl]-4-(methylamino)-7-(trifluoromethyl)quinoline-3-carboxamide;deuterio(fluoro)methane;(2S)-2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-methylamino]propanoic acid
CID 157579526
4-[[1-(4-aminobutyl)triazol-4-yl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;4-anilino-6-[6-[4-[4-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]triazol-1-yl]butylcarbamoyl]-3-pyridinyl]-N-methyl-7-(trifluoromethyl)quinoline-3-carboxamide;5-[4-anilino-3-(methylcarbamoyl)-7-(trifluoromethyl)quinolin-6-yl]pyridine-2-carboxylic acid;deuterio(fluoro)methane
CID 157747263
3-[2-(8-aminooctyl)-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]piperidine-2,6-dione;4-[3-(cyclopropylcarbamoyl)-4-(methylamino)-7-(trifluoromethyl)quinolin-6-yl]-2-fluorobenzoic acid;N-cyclopropyl-6-[4-[8-[6-(2,6-dioxopiperidin-3-yl)-5-oxo-7H-pyrrolo[3,4-b]pyridin-2-yl]octylcarbamoyl]-3-fluorophenyl]-4-(methylamino)-7-(trifluoromethyl)quinoline-3-carboxamide;deuterio(fluoro)methane;methane
CID 157975644
4-[1-[1-(4-aminobutyl)triazol-4-yl]ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;5-[3-(cyclopropylcarbamoyl)-4-(methylamino)-7-(trifluoromethyl)quinolin-6-yl]pyridine-2-carboxylic acid;N-cyclopropyl-6-[6-[4-[4-[1-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethyl]triazol-1-yl]butylcarbamoyl]-3-pyridinyl]-4-(methylamino)-7-(trifluoromethyl)quinoline-3-carboxamide;deuterio(fluoro)methane
CID 158021297
N-(4-acetylphenyl)-2,5-dimethyl-1-(2-piperidin-1-ylethyl)pyrrole-3-carboxamide;1-(1-azabicyclo[2.2.2]octan-3-yl)-2,5-dimethyl-N-[4-methyl-3-(trifluoromethyl)phenyl]pyrrole-3-carboxamide;3-cyclohexyl-1-[2-(dimethylamino)-2-oxoethyl]-2-[1-[2-(dimethylamino)-2-oxoethyl]pyrrol-3-yl]indole-6-carboxylic acid;1-[2-(dimethylamino)ethyl]-N-(2-fluoro-4-methylphenyl)-2,5-dimethylpyrrole-3-carboxamide
CID 158162396
4-[3-(4-aminopiperidin-1-yl)propylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;4-(azetidin-3-ylamino)-N-cyclopropyl-6-[4-[3-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]piperidin-1-yl]propylcarbamoyl]-3-fluorophenyl]-7-(trifluoromethyl)quinoline-3-carboxamide;4-[3-(cyclopropylcarbamoyl)-4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]amino]-7-(trifluoromethyl)quinolin-6-yl]-2-fluorobenzoic acid
CID 158511847
3-[2-(7-aminoheptyl)-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]piperidine-2,6-dione;4-[3-(cyclopropylcarbamoyl)-4-(methylamino)-7-(trifluoromethyl)quinolin-6-yl]-2-fluorobenzoic acid;N-cyclopropyl-6-[4-[7-[6-(2,6-dioxopiperidin-3-yl)-5-oxo-7H-pyrrolo[3,4-b]pyridin-2-yl]heptylcarbamoyl]-3-(trifluoromethyl)phenyl]-7-fluoro-4-(methylamino)quinoline-3-carboxamide;deuterio(fluoro)methane;methane
CID 158514943

Frequently Asked Questions

What is the IUPAC name of 4-anilino-6-[4-[4-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]piperazin-1-yl]butylcarbamoyl]phenyl]-N-methylquinoline-3-carboxamide;4-[4-anilino-3-(methylcarbamoyl)quinolin-6-yl]benzoic acid;tert-butyl N-[4-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]piperazin-1-yl]butyl]carbamate?
The IUPAC name of 4-anilino-6-[4-[4-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]piperazin-1-yl]butylcarbamoyl]phenyl]-N-methylquinoline-3-carboxamide;4-[4-anilino-3-(methylcarbamoyl)quinolin-6-yl]benzoic acid;tert-butyl N-[4-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]piperazin-1-yl]butyl]carbamate (CID 157465508) is 4-anilino-6-[4-[4-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]piperazin-1-yl]butylcarbamoyl]phenyl]-N-methylquinoline-3-carboxamide;4-[4-anilino-3-(methylcarbamoyl)quinolin-6-yl]benzoic acid;tert-butyl N-[4-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]piperazin-1-yl]butyl]carbamate.
What is the SMILES notation for 4-anilino-6-[4-[4-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]piperazin-1-yl]butylcarbamoyl]phenyl]-N-methylquinoline-3-carboxamide;4-[4-anilino-3-(methylcarbamoyl)quinolin-6-yl]benzoic acid;tert-butyl N-[4-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]piperazin-1-yl]butyl]carbamate?
The canonical SMILES for 4-anilino-6-[4-[4-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]piperazin-1-yl]butylcarbamoyl]phenyl]-N-methylquinoline-3-carboxamide;4-[4-anilino-3-(methylcarbamoyl)quinolin-6-yl]benzoic acid;tert-butyl N-[4-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]piperazin-1-yl]butyl]carbamate is CC(C)(C)OC(=O)NCCCCN1CCN(c2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1.CNC(=O)c1cnc2ccc(-c3ccc(C(=O)NCCCCN4CCN(c5cccc6c5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)cc3)cc2c1Nc1ccccc1.CNC(=O)c1cnc2ccc(-c3ccc(C(=O)O)cc3)cc2c1Nc1ccccc1.
What is the InChIKey of 4-anilino-6-[4-[4-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]piperazin-1-yl]butylcarbamoyl]phenyl]-N-methylquinoline-3-carboxamide;4-[4-anilino-3-(methylcarbamoyl)quinolin-6-yl]benzoic acid;tert-butyl N-[4-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]piperazin-1-yl]butyl]carbamate?
The InChIKey is BUKRVBDNWUFVBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H44N8O6.C26H35N5O6.C24H19N3O3/c1-46-42(56)34-27-48-35-17-16-30(26-33(35)40(34)49-31-8-3-2-4-9-31)28-12-14-29(15-13-28)41(55)47-20-5-6-21-51-22-24-52(25-23-51)36-11-7-10-32-39(36)45(59)53(44(32)58)37-18-19-38(54)50-43(37)57;1-26(2,3)37-25(36)27-11-4-5-12-29-13-15-30(16-14-29)18-8-6-7-17-21(18)24(35)31(23(17)34)19-9-10-20(32)28-22(19)33;1-25-23(28)20-14-26-21-12-11-17(15-7-9-16(10-8-15)24(29)30)13-19(21)22(20)27-18-5-3-2-4-6-18/h2-4,7-17,26-27,37H,5-6,18-25H2,1H3,(H,46,56)(H,47,55)(H,48,49)(H,50,54,57);6-8,19H,4-5,9-16H2,1-3H3,(H,27,36)(H,28,32,33);2-14H,1H3,(H,25,28)(H,26,27)(H,29,30).
What are the key properties of 4-anilino-6-[4-[4-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]piperazin-1-yl]butylcarbamoyl]phenyl]-N-methylquinoline-3-carboxamide;4-[4-anilino-3-(methylcarbamoyl)quinolin-6-yl]benzoic acid;tert-butyl N-[4-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]piperazin-1-yl]butyl]carbamate?
4-anilino-6-[4-[4-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]piperazin-1-yl]butylcarbamoyl]phenyl]-N-methylquinoline-3-carboxamide;4-[4-anilino-3-(methylcarbamoyl)quinolin-6-yl]benzoic acid;tert-butyl N-[4-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]piperazin-1-yl]butyl]carbamate has a molecular weight of 1703.93 g/mol, XLogP of 10.96, 24 rotatable bonds, 9 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 4-anilino-6-[4-[4-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]piperazin-1-yl]butylcarbamoyl]phenyl]-N-methylquinoline-3-carboxamide;4-[4-anilino-3-(methylcarbamoyl)quinolin-6-yl]benzoic acid;tert-butyl N-[4-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]piperazin-1-yl]butyl]carbamate is sourced from PubChem (CID 157465508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).