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

C88H82F7N17O15 — CID 159197073

About 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

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 (PubChem CID 159197073) has the molecular formula C88H82F7N17O15 and a molecular weight of 1751.72 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 159197073
• Molecular Formula: C88H82F7N17O15
• Molecular Weight: 1751.72 g/mol
• Exact Mass: 1750.61
• IUPAC Name: 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
• SMILES: CNC(=O)c1cnc2cc(C(F)(F)F)c(-c3ccc(C(=O)NCCCCCC(=O)CNc4cccc5c4C(=O)N(C4CCC(=O)NC4=O)C5=O)nc3)cc2c1Nc1ccccc1.CNC(=O)c1cnc2cc(C(F)(F)F)c(-c3ccc(C(=O)NCCCCN)nc3)cc2c1Nc1ccccc1.O=C(O)CNc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O.[2H]CF
• InChI: InChI=1S/C44H39F3N8O7.C28H27F3N6O2.C15H13N3O6.CH3F/c1-48-39(58)30-23-52-34-20-31(44(45,46)47)28(19-29(34)38(30)53-25-9-4-2-5-10-25)24-14-15-33(50-21-24)40(59)49-18-7-3-6-11-26(56)22-51-32-13-8-12-27-37(32)43(62)55(42(27)61)35-16-17-36(57)54-41(35)60;1-33-26(38)21-16-36-24-14-22(28(29,30)31)19(13-20(24)25(21)37-18-7-3-2-4-8-18)17-9-10-23(35-15-17)27(39)34-12-6-5-11-32;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;1-2/h2,4-5,8-10,12-15,19-21,23,35,51H,3,6-7,11,16-18,22H2,1H3,(H,48,58)(H,49,59)(H,52,53)(H,54,57,60);2-4,7-10,13-16H,5-6,11-12,32H2,1H3,(H,33,38)(H,34,39)(H,36,37);1-3,9,16H,4-6H2,(H,20,21)(H,17,19,22);1H3/i;;;1D
• InChIKey: KOUIRUPBAIHXJN-PBJKEDEQSA-N
• XLogP: 10.85
• TPSA: 463.57 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 23
• Rotatable Bonds: 28
• Heavy Atoms: 127
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1751.72
LogP ≤ 5	10.85
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is CNC(=O)c1cnc2cc(C(F)(F)F)c(-c3ccc(C(=O)NCCCCCC(=O)CNc4cccc5c4C(=O)N(C4CCC(=O)NC4=O)C5=O)nc3)cc2c1Nc1ccccc1.CNC(=O)c1cnc2cc(C(F)(F)F)c(-c3ccc(C(=O)NCCCCN)nc3)cc2c1Nc1ccccc1.O=C(O)CNc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O.[2H]CF.

What is the InChIKey of 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?

The InChIKey is KOUIRUPBAIHXJN-PBJKEDEQSA-N. The full InChI is InChI=1S/C44H39F3N8O7.C28H27F3N6O2.C15H13N3O6.CH3F/c1-48-39(58)30-23-52-34-20-31(44(45,46)47)28(19-29(34)38(30)53-25-9-4-2-5-10-25)24-14-15-33(50-21-24)40(59)49-18-7-3-6-11-26(56)22-51-32-13-8-12-27-37(32)43(62)55(42(27)61)35-16-17-36(57)54-41(35)60;1-33-26(38)21-16-36-24-14-22(28(29,30)31)19(13-20(24)25(21)37-18-7-3-2-4-8-18)17-9-10-23(35-15-17)27(39)34-12-6-5-11-32;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;1-2/h2,4-5,8-10,12-15,19-21,23,35,51H,3,6-7,11,16-18,22H2,1H3,(H,48,58)(H,49,59)(H,52,53)(H,54,57,60);2-4,7-10,13-16H,5-6,11-12,32H2,1H3,(H,33,38)(H,34,39)(H,36,37);1-3,9,16H,4-6H2,(H,20,21)(H,17,19,22);1H3/i;;;1D.

What are the key properties of 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?

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 has a molecular weight of 1751.72 g/mol, XLogP of 10.85, 28 rotatable bonds, 12 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 159197073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).