4-anilino-6-N-[2-[4-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propanoyl]piperazin-1-yl]-2-oxoethyl]-3-N-methylquinoline-3,6-dicarboxamide;4-anilino-3-(methylcarbamoyl)quinoline-6-carboxylic acid;tert-butyl 2-aminoacetate;tert-butyl 2-[[4-anilino-3-(methylcarbamoyl)quinoline-6-carbonyl]amino]acetate;tert-butyl 4-[2-[[4-anilino-3-(methylcarbamoyl)quinoline-6-carbonyl]amino]acetyl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetic acid;methane

C142H161N27O30 — CID 157342860

IUPAC4-anilino-6-N-[2-[4-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propanoyl]piperazin-1-yl]-2-oxoethyl]-3-N-methylquinoline-3,6-dicarboxamide;4-anilino-3-(methylcarbamoyl)quinoline-6-carboxylic acid;tert-butyl 2-aminoacetate;tert-butyl 2-[[4-anilino-3-(methylcarbamoyl)quinoline-6-carbonyl]amino]acetate;tert-butyl 4-[2-[[4-anilino-3-(methylcarbamoyl)quinoline-6-carbonyl]amino]acetyl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetic acid;methane
SMILESC.CC(C)(C)OC(=O)CN.CC(C)(C)OC(=O)N1CCNCC1.CNC(=O)c1cnc2ccc(C(=O)NCC(=O)N3CCN(C(=O)CCc4cccc5c4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)cc2c1Nc1ccccc1.CNC(=O)c1cnc2ccc(C(=O)NCC(=O)N3CCN(C(=O)OC(C)(C)C)CC3)cc2c1Nc1ccccc1.CNC(=O)c1cnc2ccc(C(=O)NCC(=O)OC(C)(C)C)cc2c1Nc1ccccc1.CNC(=O)c1cnc2ccc(C(=O)O)cc2c1Nc1ccccc1.O=C(O)CNc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O
InChIInChI=1S/C40H38N8O8.C29H34N6O5.C24H26N4O4.C18H15N3O3.C15H13N3O6.C9H18N2O2.C6H13NO2.CH4/c1-41-37(53)28-21-42-29-12-10-24(20-27(29)35(28)44-25-7-3-2-4-8-25)36(52)43-22-33(51)47-18-16-46(17-19-47)32(50)15-11-23-6-5-9-26-34(23)40(56)48(39(26)55)30-13-14-31(49)45-38(30)54;1-29(2,3)40-28(39)35-14-12-34(13-15-35)24(36)18-32-26(37)19-10-11-23-21(16-19)25(22(17-31-23)27(38)30-4)33-20-8-6-5-7-9-20;1-24(2,3)32-20(29)14-27-22(30)15-10-11-19-17(12-15)21(18(13-26-19)23(31)25-4)28-16-8-6-5-7-9-16;1-19-17(22)14-10-20-15-8-7-11(18(23)24)9-13(15)16(14)21-12-5-3-2-4-6-12;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;1-9(2,3)13-8(12)11-6-4-10-5-7-11;1-6(2,3)9-5(8)4-7;/h2-10,12,20-21,30H,11,13-19,22H2,1H3,(H,41,53)(H,42,44)(H,43,52)(H,45,49,54);5-11,16-17H,12-15,18H2,1-4H3,(H,30,38)(H,31,33)(H,32,37);5-13H,14H2,1-4H3,(H,25,31)(H,26,28)(H,27,30);2-10H,1H3,(H,19,22)(H,20,21)(H,23,24);1-3,9,16H,4-6H2,(H,20,21)(H,17,19,22);10H,4-7H2,1-3H3;4,7H2,1-3H3;1H4
InChIKeyBGPKDSCTNKSWDK-UHFFFAOYSA-N
MW2726.01 g/mol
LogP12.70
Rot. Bonds31

About 4-anilino-6-N-[2-[4-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propanoyl]piperazin-1-yl]-2-oxoethyl]-3-N-methylquinoline-3,6-dicarboxamide;4-anilino-3-(methylcarbamoyl)quinoline-6-carboxylic acid;tert-butyl 2-aminoacetate;tert-butyl 2-[[4-anilino-3-(methylcarbamoyl)quinoline-6-carbonyl]amino]acetate;tert-butyl 4-[2-[[4-anilino-3-(methylcarbamoyl)quinoline-6-carbonyl]amino]acetyl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetic acid;methane

4-anilino-6-N-[2-[4-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propanoyl]piperazin-1-yl]-2-oxoethyl]-3-N-methylquinoline-3,6-dicarboxamide;4-anilino-3-(methylcarbamoyl)quinoline-6-carboxylic acid;tert-butyl 2-aminoacetate;tert-butyl 2-[[4-anilino-3-(methylcarbamoyl)quinoline-6-carbonyl]amino]acetate;tert-butyl 4-[2-[[4-anilino-3-(methylcarbamoyl)quinoline-6-carbonyl]amino]acetyl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetic acid;methane (PubChem CID 157342860) has the molecular formula C142H161N27O30 and a molecular weight of 2726.01 g/mol. Its IUPAC name is 4-anilino-6-N-[2-[4-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propanoyl]piperazin-1-yl]-2-oxoethyl]-3-N-methylquinoline-3,6-dicarboxamide;4-anilino-3-(methylcarbamoyl)quinoline-6-carboxylic acid;tert-butyl 2-aminoacetate;tert-butyl 2-[[4-anilino-3-(methylcarbamoyl)quinoline-6-carbonyl]amino]acetate;tert-butyl 4-[2-[[4-anilino-3-(methylcarbamoyl)quinoline-6-carbonyl]amino]acetyl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetic acid;methane.

Molecular Properties

Compound Name4-anilino-6-N-[2-[4-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propanoyl]piperazin-1-yl]-2-oxoethyl]-3-N-methylquinoline-3,6-dicarboxamide;4-anilino-3-(methylcarbamoyl)quinoline-6-carboxylic acid;tert-butyl 2-aminoacetate;tert-butyl 2-[[4-anilino-3-(methylcarbamoyl)quinoline-6-carbonyl]amino]acetate;tert-butyl 4-[2-[[4-anilino-3-(methylcarbamoyl)quinoline-6-carbonyl]amino]acetyl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetic acid;methane
PubChem CID157342860
Molecular FormulaC142H161N27O30
Molecular Weight2726.01 g/mol
Exact Mass2724.19
IUPAC Name4-anilino-6-N-[2-[4-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propanoyl]piperazin-1-yl]-2-oxoethyl]-3-N-methylquinoline-3,6-dicarboxamide;4-anilino-3-(methylcarbamoyl)quinoline-6-carboxylic acid;tert-butyl 2-aminoacetate;tert-butyl 2-[[4-anilino-3-(methylcarbamoyl)quinoline-6-carbonyl]amino]acetate;tert-butyl 4-[2-[[4-anilino-3-(methylcarbamoyl)quinoline-6-carbonyl]amino]acetyl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetic acid;methane
SMILESC.CC(C)(C)OC(=O)CN.CC(C)(C)OC(=O)N1CCNCC1.CNC(=O)c1cnc2ccc(C(=O)NCC(=O)N3CCN(C(=O)CCc4cccc5c4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)cc2c1Nc1ccccc1.CNC(=O)c1cnc2ccc(C(=O)NCC(=O)N3CCN(C(=O)OC(C)(C)C)CC3)cc2c1Nc1ccccc1.CNC(=O)c1cnc2ccc(C(=O)NCC(=O)OC(C)(C)C)cc2c1Nc1ccccc1.CNC(=O)c1cnc2ccc(C(=O)O)cc2c1Nc1ccccc1.O=C(O)CNc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O
InChIInChI=1S/C40H38N8O8.C29H34N6O5.C24H26N4O4.C18H15N3O3.C15H13N3O6.C9H18N2O2.C6H13NO2.CH4/c1-41-37(53)28-21-42-29-12-10-24(20-27(29)35(28)44-25-7-3-2-4-8-25)36(52)43-22-33(51)47-18-16-46(17-19-47)32(50)15-11-23-6-5-9-26-34(23)40(56)48(39(26)55)30-13-14-31(49)45-38(30)54;1-29(2,3)40-28(39)35-14-12-34(13-15-35)24(36)18-32-26(37)19-10-11-23-21(16-19)25(22(17-31-23)27(38)30-4)33-20-8-6-5-7-9-20;1-24(2,3)32-20(29)14-27-22(30)15-10-11-19-17(12-15)21(18(13-26-19)23(31)25-4)28-16-8-6-5-7-9-16;1-19-17(22)14-10-20-15-8-7-11(18(23)24)9-13(15)16(14)21-12-5-3-2-4-6-12;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;1-9(2,3)13-8(12)11-6-4-10-5-7-11;1-6(2,3)9-5(8)4-7;/h2-10,12,20-21,30H,11,13-19,22H2,1H3,(H,41,53)(H,42,44)(H,43,52)(H,45,49,54);5-11,16-17H,12-15,18H2,1-4H3,(H,30,38)(H,31,33)(H,32,37);5-13H,14H2,1-4H3,(H,25,31)(H,26,28)(H,27,30);2-10H,1H3,(H,19,22)(H,20,21)(H,23,24);1-3,9,16H,4-6H2,(H,20,21)(H,17,19,22);10H,4-7H2,1-3H3;4,7H2,1-3H3;1H4
InChIKeyBGPKDSCTNKSWDK-UHFFFAOYSA-N
XLogP12.70
TPSA767.77 Ų
H-Bond Donors18
H-Bond Acceptors39
Rotatable Bonds31
Heavy Atoms199
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002726.01
LogP ≤ 512.70
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1039

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 4-anilino-6-N-[2-[4-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propanoyl]piperazin-1-yl]-2-oxoethyl]-3-N-methylquinoline-3,6-dicarboxamide;4-anilino-3-(methylcarbamoyl)quinoline-6-carboxylic acid;tert-butyl 2-aminoacetate;tert-butyl 2-[[4-anilino-3-(methylcarbamoyl)quinoline-6-carbonyl]amino]acetate;tert-butyl 4-[2-[[4-anilino-3-(methylcarbamoyl)quinoline-6-carbonyl]amino]acetyl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetic acid;methane with MolForge

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Related Compounds

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
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
bis(tert-butyl (2S)-1-[2-[[3-[[4-(diethylamino)-2-[4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]-2-pyridinyl]phenyl]carbamoyl]benzoyl]-methylamino]ethyl]pyrrolidine-2-carboxylate);3-[[4-(diethylamino)-2-[4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]-2-pyridinyl]phenyl]carbamoyl]benzoic acid
CID 158043333
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
4-[[1-(3-aminopropyl)piperidin-4-yl]amino]-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-[3-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]piperidin-1-yl]propylcarbamoyl]-3-pyridinyl]-4-(methylamino)-7-(trifluoromethyl)quinoline-3-carboxamide;deuterio(fluoro)methane
CID 158730315
4-[[1-(3-aminopropyl)piperidin-4-yl]amino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;4-(cyclopropylamino)-6-[4-[3-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]piperidin-1-yl]propylcarbamoyl]-3-fluorophenyl]-N-(1-methylazetidin-3-yl)-7-(trifluoromethyl)quinoline-3-carboxamide;4-[4-(cyclopropylamino)-3-[(1-methylazetidin-3-yl)carbamoyl]-7-(trifluoromethyl)quinolin-6-yl]-2-fluorobenzoic acid;deuterio(fluoro)methane
CID 158849711
6-[6-(4-aminobutylcarbamoyl)-3-pyridinyl]-4-anilino-N-methyl-7-(trifluoromethyl)quinoline-3-carboxamide;4-anilino-6-[6-[[7-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-6-oxoheptyl]carbamoyl]-3-pyridinyl]-N-methyl-7-(trifluoromethyl)quinoline-3-carboxamide;deuterio(fluoro)methane;2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetic acid
CID 159197073
tert-butyl (2S)-1-[2-[[3-[[4-(diethylamino)-2-[4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]-2-pyridinyl]phenyl]carbamoyl]benzoyl]-methylamino]ethyl]pyrrolidine-2-carboxylate;3-[[4-(diethylamino)-2-[4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]-2-pyridinyl]phenyl]carbamoyl]benzoic acid;(2S)-1-[2-[[3-[[4-(diethylamino)-2-[4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]-2-pyridinyl]phenyl]carbamoyl]benzoyl]-methylamino]ethyl]pyrrolidine-2-carboxylic acid
CID 159284030

Frequently Asked Questions

What is the IUPAC name of 4-anilino-6-N-[2-[4-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propanoyl]piperazin-1-yl]-2-oxoethyl]-3-N-methylquinoline-3,6-dicarboxamide;4-anilino-3-(methylcarbamoyl)quinoline-6-carboxylic acid;tert-butyl 2-aminoacetate;tert-butyl 2-[[4-anilino-3-(methylcarbamoyl)quinoline-6-carbonyl]amino]acetate;tert-butyl 4-[2-[[4-anilino-3-(methylcarbamoyl)quinoline-6-carbonyl]amino]acetyl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetic acid;methane?
The IUPAC name of 4-anilino-6-N-[2-[4-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propanoyl]piperazin-1-yl]-2-oxoethyl]-3-N-methylquinoline-3,6-dicarboxamide;4-anilino-3-(methylcarbamoyl)quinoline-6-carboxylic acid;tert-butyl 2-aminoacetate;tert-butyl 2-[[4-anilino-3-(methylcarbamoyl)quinoline-6-carbonyl]amino]acetate;tert-butyl 4-[2-[[4-anilino-3-(methylcarbamoyl)quinoline-6-carbonyl]amino]acetyl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetic acid;methane (CID 157342860) is 4-anilino-6-N-[2-[4-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propanoyl]piperazin-1-yl]-2-oxoethyl]-3-N-methylquinoline-3,6-dicarboxamide;4-anilino-3-(methylcarbamoyl)quinoline-6-carboxylic acid;tert-butyl 2-aminoacetate;tert-butyl 2-[[4-anilino-3-(methylcarbamoyl)quinoline-6-carbonyl]amino]acetate;tert-butyl 4-[2-[[4-anilino-3-(methylcarbamoyl)quinoline-6-carbonyl]amino]acetyl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetic acid;methane.
What is the SMILES notation for 4-anilino-6-N-[2-[4-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propanoyl]piperazin-1-yl]-2-oxoethyl]-3-N-methylquinoline-3,6-dicarboxamide;4-anilino-3-(methylcarbamoyl)quinoline-6-carboxylic acid;tert-butyl 2-aminoacetate;tert-butyl 2-[[4-anilino-3-(methylcarbamoyl)quinoline-6-carbonyl]amino]acetate;tert-butyl 4-[2-[[4-anilino-3-(methylcarbamoyl)quinoline-6-carbonyl]amino]acetyl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetic acid;methane?
The canonical SMILES for 4-anilino-6-N-[2-[4-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propanoyl]piperazin-1-yl]-2-oxoethyl]-3-N-methylquinoline-3,6-dicarboxamide;4-anilino-3-(methylcarbamoyl)quinoline-6-carboxylic acid;tert-butyl 2-aminoacetate;tert-butyl 2-[[4-anilino-3-(methylcarbamoyl)quinoline-6-carbonyl]amino]acetate;tert-butyl 4-[2-[[4-anilino-3-(methylcarbamoyl)quinoline-6-carbonyl]amino]acetyl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetic acid;methane is C.CC(C)(C)OC(=O)CN.CC(C)(C)OC(=O)N1CCNCC1.CNC(=O)c1cnc2ccc(C(=O)NCC(=O)N3CCN(C(=O)CCc4cccc5c4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)cc2c1Nc1ccccc1.CNC(=O)c1cnc2ccc(C(=O)NCC(=O)N3CCN(C(=O)OC(C)(C)C)CC3)cc2c1Nc1ccccc1.CNC(=O)c1cnc2ccc(C(=O)NCC(=O)OC(C)(C)C)cc2c1Nc1ccccc1.CNC(=O)c1cnc2ccc(C(=O)O)cc2c1Nc1ccccc1.O=C(O)CNc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O.
What is the InChIKey of 4-anilino-6-N-[2-[4-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propanoyl]piperazin-1-yl]-2-oxoethyl]-3-N-methylquinoline-3,6-dicarboxamide;4-anilino-3-(methylcarbamoyl)quinoline-6-carboxylic acid;tert-butyl 2-aminoacetate;tert-butyl 2-[[4-anilino-3-(methylcarbamoyl)quinoline-6-carbonyl]amino]acetate;tert-butyl 4-[2-[[4-anilino-3-(methylcarbamoyl)quinoline-6-carbonyl]amino]acetyl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetic acid;methane?
The InChIKey is BGPKDSCTNKSWDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H38N8O8.C29H34N6O5.C24H26N4O4.C18H15N3O3.C15H13N3O6.C9H18N2O2.C6H13NO2.CH4/c1-41-37(53)28-21-42-29-12-10-24(20-27(29)35(28)44-25-7-3-2-4-8-25)36(52)43-22-33(51)47-18-16-46(17-19-47)32(50)15-11-23-6-5-9-26-34(23)40(56)48(39(26)55)30-13-14-31(49)45-38(30)54;1-29(2,3)40-28(39)35-14-12-34(13-15-35)24(36)18-32-26(37)19-10-11-23-21(16-19)25(22(17-31-23)27(38)30-4)33-20-8-6-5-7-9-20;1-24(2,3)32-20(29)14-27-22(30)15-10-11-19-17(12-15)21(18(13-26-19)23(31)25-4)28-16-8-6-5-7-9-16;1-19-17(22)14-10-20-15-8-7-11(18(23)24)9-13(15)16(14)21-12-5-3-2-4-6-12;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;1-9(2,3)13-8(12)11-6-4-10-5-7-11;1-6(2,3)9-5(8)4-7;/h2-10,12,20-21,30H,11,13-19,22H2,1H3,(H,41,53)(H,42,44)(H,43,52)(H,45,49,54);5-11,16-17H,12-15,18H2,1-4H3,(H,30,38)(H,31,33)(H,32,37);5-13H,14H2,1-4H3,(H,25,31)(H,26,28)(H,27,30);2-10H,1H3,(H,19,22)(H,20,21)(H,23,24);1-3,9,16H,4-6H2,(H,20,21)(H,17,19,22);10H,4-7H2,1-3H3;4,7H2,1-3H3;1H4.
What are the key properties of 4-anilino-6-N-[2-[4-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propanoyl]piperazin-1-yl]-2-oxoethyl]-3-N-methylquinoline-3,6-dicarboxamide;4-anilino-3-(methylcarbamoyl)quinoline-6-carboxylic acid;tert-butyl 2-aminoacetate;tert-butyl 2-[[4-anilino-3-(methylcarbamoyl)quinoline-6-carbonyl]amino]acetate;tert-butyl 4-[2-[[4-anilino-3-(methylcarbamoyl)quinoline-6-carbonyl]amino]acetyl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetic acid;methane?
4-anilino-6-N-[2-[4-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propanoyl]piperazin-1-yl]-2-oxoethyl]-3-N-methylquinoline-3,6-dicarboxamide;4-anilino-3-(methylcarbamoyl)quinoline-6-carboxylic acid;tert-butyl 2-aminoacetate;tert-butyl 2-[[4-anilino-3-(methylcarbamoyl)quinoline-6-carbonyl]amino]acetate;tert-butyl 4-[2-[[4-anilino-3-(methylcarbamoyl)quinoline-6-carbonyl]amino]acetyl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetic acid;methane has a molecular weight of 2726.01 g/mol, XLogP of 12.70, 31 rotatable bonds, 18 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for 4-anilino-6-N-[2-[4-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propanoyl]piperazin-1-yl]-2-oxoethyl]-3-N-methylquinoline-3,6-dicarboxamide;4-anilino-3-(methylcarbamoyl)quinoline-6-carboxylic acid;tert-butyl 2-aminoacetate;tert-butyl 2-[[4-anilino-3-(methylcarbamoyl)quinoline-6-carbonyl]amino]acetate;tert-butyl 4-[2-[[4-anilino-3-(methylcarbamoyl)quinoline-6-carbonyl]amino]acetyl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetic acid;methane is sourced from PubChem (CID 157342860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).