6-[6-(4-aminobutylcarbamoyl)-3-pyridinyl]-N-cyclopropyl-4-(methylamino)-7-(trifluoromethyl)quinoline-3-carboxamide;N-cyclopropyl-6-[6-[4-[4-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propan-2-yl]triazol-1-yl]butylcarbamoyl]-3-pyridinyl]-4-(methylamino)-7-(trifluoromethyl)quinoline-3-carboxamide;2-(2,6-dioxopiperidin-3-yl)-4-(2-methylbut-3-yn-2-ylamino)isoindole-1,3-dione;iminoazanium

C86H89F6N22O12+ — CID 157430562

About 6-[6-(4-aminobutylcarbamoyl)-3-pyridinyl]-N-cyclopropyl-4-(methylamino)-7-(trifluoromethyl)quinoline-3-carboxamide;N-cyclopropyl-6-[6-[4-[4-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propan-2-yl]triazol-1-yl]butylcarbamoyl]-3-pyridinyl]-4-(methylamino)-7-(trifluoromethyl)quinoline-3-carboxamide;2-(2,6-dioxopiperidin-3-yl)-4-(2-methylbut-3-yn-2-ylamino)isoindole-1,3-dione;iminoazanium

6-[6-(4-aminobutylcarbamoyl)-3-pyridinyl]-N-cyclopropyl-4-(methylamino)-7-(trifluoromethyl)quinoline-3-carboxamide;N-cyclopropyl-6-[6-[4-[4-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propan-2-yl]triazol-1-yl]butylcarbamoyl]-3-pyridinyl]-4-(methylamino)-7-(trifluoromethyl)quinoline-3-carboxamide;2-(2,6-dioxopiperidin-3-yl)-4-(2-methylbut-3-yn-2-ylamino)isoindole-1,3-dione;iminoazanium (PubChem CID 157430562) has the molecular formula C86H89F6N22O12+ and a molecular weight of 1736.79 g/mol. Its IUPAC name is 6-[6-(4-aminobutylcarbamoyl)-3-pyridinyl]-N-cyclopropyl-4-(methylamino)-7-(trifluoromethyl)quinoline-3-carboxamide;N-cyclopropyl-6-[6-[4-[4-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propan-2-yl]triazol-1-yl]butylcarbamoyl]-3-pyridinyl]-4-(methylamino)-7-(trifluoromethyl)quinoline-3-carboxamide;2-(2,6-dioxopiperidin-3-yl)-4-(2-methylbut-3-yn-2-ylamino)isoindole-1,3-dione;iminoazanium.

Molecular Properties

• Compound Name: 6-[6-(4-aminobutylcarbamoyl)-3-pyridinyl]-N-cyclopropyl-4-(methylamino)-7-(trifluoromethyl)quinoline-3-carboxamide;N-cyclopropyl-6-[6-[4-[4-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propan-2-yl]triazol-1-yl]butylcarbamoyl]-3-pyridinyl]-4-(methylamino)-7-(trifluoromethyl)quinoline-3-carboxamide;2-(2,6-dioxopiperidin-3-yl)-4-(2-methylbut-3-yn-2-ylamino)isoindole-1,3-dione;iminoazanium
• PubChem CID: 157430562
• Molecular Formula: C86H89F6N22O12+
• Molecular Weight: 1736.79 g/mol
• Exact Mass: 1735.69
• IUPAC Name: 6-[6-(4-aminobutylcarbamoyl)-3-pyridinyl]-N-cyclopropyl-4-(methylamino)-7-(trifluoromethyl)quinoline-3-carboxamide;N-cyclopropyl-6-[6-[4-[4-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propan-2-yl]triazol-1-yl]butylcarbamoyl]-3-pyridinyl]-4-(methylamino)-7-(trifluoromethyl)quinoline-3-carboxamide;2-(2,6-dioxopiperidin-3-yl)-4-(2-methylbut-3-yn-2-ylamino)isoindole-1,3-dione;iminoazanium
• SMILES: C#CC(C)(C)Nc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O.CNc1c(C(=O)NC2CC2)cnc2cc(C(F)(F)F)c(-c3ccc(C(=O)NCCCCN)nc3)cc12.CNc1c(C(=O)NC2CC2)cnc2cc(C(F)(F)F)c(-c3ccc(C(=O)NCCCCn4cc(C(C)(C)Nc5cccc6c5C(=O)N(C5CCC(=O)NC5=O)C6=O)nn4)nc3)cc12.[H]N=[NH2+]
• InChI: InChI=1S/C43H42F3N11O6.C25H27F3N6O2.C18H17N3O4.H2N2/c1-42(2,53-29-8-6-7-24-35(29)41(63)57(40(24)62)32-13-14-34(58)52-39(32)61)33-21-56(55-54-33)16-5-4-15-48-38(60)30-12-9-22(19-49-30)25-17-26-31(18-28(25)43(44,45)46)50-20-27(36(26)47-3)37(59)51-23-10-11-23;1-30-22-17-10-16(14-4-7-20(32-12-14)24(36)31-9-3-2-8-29)19(25(26,27)28)11-21(17)33-13-18(22)23(35)34-15-5-6-15;1-4-18(2,3)20-11-7-5-6-10-14(11)17(25)21(16(10)24)12-8-9-13(22)19-15(12)23;1-2/h6-9,12,17-21,23,32,53H,4-5,10-11,13-16H2,1-3H3,(H,47,50)(H,48,60)(H,51,59)(H,52,58,61);4,7,10-13,15H,2-3,5-6,8-9,29H2,1H3,(H,30,33)(H,31,36)(H,34,35);1,5-7,12,20H,8-9H2,2-3H3,(H,19,22,23);1-2H/p+1
• InChIKey: BQMCZQXPCKYZHK-UHFFFAOYSA-O
• XLogP: 8.21
• TPSA: 489.35 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 25
• Rotatable Bonds: 26
• Heavy Atoms: 126
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1736.79
LogP ≤ 5	8.21
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-[6-(4-aminobutylcarbamoyl)-3-pyridinyl]-N-cyclopropyl-4-(methylamino)-7-(trifluoromethyl)quinoline-3-carboxamide;N-cyclopropyl-6-[6-[4-[4-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propan-2-yl]triazol-1-yl]butylcarbamoyl]-3-pyridinyl]-4-(methylamino)-7-(trifluoromethyl)quinoline-3-carboxamide;2-(2,6-dioxopiperidin-3-yl)-4-(2-methylbut-3-yn-2-ylamino)isoindole-1,3-dione;iminoazanium?

The IUPAC name of 6-[6-(4-aminobutylcarbamoyl)-3-pyridinyl]-N-cyclopropyl-4-(methylamino)-7-(trifluoromethyl)quinoline-3-carboxamide;N-cyclopropyl-6-[6-[4-[4-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propan-2-yl]triazol-1-yl]butylcarbamoyl]-3-pyridinyl]-4-(methylamino)-7-(trifluoromethyl)quinoline-3-carboxamide;2-(2,6-dioxopiperidin-3-yl)-4-(2-methylbut-3-yn-2-ylamino)isoindole-1,3-dione;iminoazanium (CID 157430562) is 6-[6-(4-aminobutylcarbamoyl)-3-pyridinyl]-N-cyclopropyl-4-(methylamino)-7-(trifluoromethyl)quinoline-3-carboxamide;N-cyclopropyl-6-[6-[4-[4-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propan-2-yl]triazol-1-yl]butylcarbamoyl]-3-pyridinyl]-4-(methylamino)-7-(trifluoromethyl)quinoline-3-carboxamide;2-(2,6-dioxopiperidin-3-yl)-4-(2-methylbut-3-yn-2-ylamino)isoindole-1,3-dione;iminoazanium.

What is the SMILES notation for 6-[6-(4-aminobutylcarbamoyl)-3-pyridinyl]-N-cyclopropyl-4-(methylamino)-7-(trifluoromethyl)quinoline-3-carboxamide;N-cyclopropyl-6-[6-[4-[4-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propan-2-yl]triazol-1-yl]butylcarbamoyl]-3-pyridinyl]-4-(methylamino)-7-(trifluoromethyl)quinoline-3-carboxamide;2-(2,6-dioxopiperidin-3-yl)-4-(2-methylbut-3-yn-2-ylamino)isoindole-1,3-dione;iminoazanium?

The canonical SMILES for 6-[6-(4-aminobutylcarbamoyl)-3-pyridinyl]-N-cyclopropyl-4-(methylamino)-7-(trifluoromethyl)quinoline-3-carboxamide;N-cyclopropyl-6-[6-[4-[4-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propan-2-yl]triazol-1-yl]butylcarbamoyl]-3-pyridinyl]-4-(methylamino)-7-(trifluoromethyl)quinoline-3-carboxamide;2-(2,6-dioxopiperidin-3-yl)-4-(2-methylbut-3-yn-2-ylamino)isoindole-1,3-dione;iminoazanium is C#CC(C)(C)Nc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O.CNc1c(C(=O)NC2CC2)cnc2cc(C(F)(F)F)c(-c3ccc(C(=O)NCCCCN)nc3)cc12.CNc1c(C(=O)NC2CC2)cnc2cc(C(F)(F)F)c(-c3ccc(C(=O)NCCCCn4cc(C(C)(C)Nc5cccc6c5C(=O)N(C5CCC(=O)NC5=O)C6=O)nn4)nc3)cc12.[H]N=[NH2+].

What is the InChIKey of 6-[6-(4-aminobutylcarbamoyl)-3-pyridinyl]-N-cyclopropyl-4-(methylamino)-7-(trifluoromethyl)quinoline-3-carboxamide;N-cyclopropyl-6-[6-[4-[4-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propan-2-yl]triazol-1-yl]butylcarbamoyl]-3-pyridinyl]-4-(methylamino)-7-(trifluoromethyl)quinoline-3-carboxamide;2-(2,6-dioxopiperidin-3-yl)-4-(2-methylbut-3-yn-2-ylamino)isoindole-1,3-dione;iminoazanium?

The InChIKey is BQMCZQXPCKYZHK-UHFFFAOYSA-O. The full InChI is InChI=1S/C43H42F3N11O6.C25H27F3N6O2.C18H17N3O4.H2N2/c1-42(2,53-29-8-6-7-24-35(29)41(63)57(40(24)62)32-13-14-34(58)52-39(32)61)33-21-56(55-54-33)16-5-4-15-48-38(60)30-12-9-22(19-49-30)25-17-26-31(18-28(25)43(44,45)46)50-20-27(36(26)47-3)37(59)51-23-10-11-23;1-30-22-17-10-16(14-4-7-20(32-12-14)24(36)31-9-3-2-8-29)19(25(26,27)28)11-21(17)33-13-18(22)23(35)34-15-5-6-15;1-4-18(2,3)20-11-7-5-6-10-14(11)17(25)21(16(10)24)12-8-9-13(22)19-15(12)23;1-2/h6-9,12,17-21,23,32,53H,4-5,10-11,13-16H2,1-3H3,(H,47,50)(H,48,60)(H,51,59)(H,52,58,61);4,7,10-13,15H,2-3,5-6,8-9,29H2,1H3,(H,30,33)(H,31,36)(H,34,35);1,5-7,12,20H,8-9H2,2-3H3,(H,19,22,23);1-2H/p+1.

What are the key properties of 6-[6-(4-aminobutylcarbamoyl)-3-pyridinyl]-N-cyclopropyl-4-(methylamino)-7-(trifluoromethyl)quinoline-3-carboxamide;N-cyclopropyl-6-[6-[4-[4-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propan-2-yl]triazol-1-yl]butylcarbamoyl]-3-pyridinyl]-4-(methylamino)-7-(trifluoromethyl)quinoline-3-carboxamide;2-(2,6-dioxopiperidin-3-yl)-4-(2-methylbut-3-yn-2-ylamino)isoindole-1,3-dione;iminoazanium?

6-[6-(4-aminobutylcarbamoyl)-3-pyridinyl]-N-cyclopropyl-4-(methylamino)-7-(trifluoromethyl)quinoline-3-carboxamide;N-cyclopropyl-6-[6-[4-[4-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propan-2-yl]triazol-1-yl]butylcarbamoyl]-3-pyridinyl]-4-(methylamino)-7-(trifluoromethyl)quinoline-3-carboxamide;2-(2,6-dioxopiperidin-3-yl)-4-(2-methylbut-3-yn-2-ylamino)isoindole-1,3-dione;iminoazanium has a molecular weight of 1736.79 g/mol, XLogP of 8.21, 26 rotatable bonds, 13 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[6-(4-aminobutylcarbamoyl)-3-pyridinyl]-N-cyclopropyl-4-(methylamino)-7-(trifluoromethyl)quinoline-3-carboxamide;N-cyclopropyl-6-[6-[4-[4-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propan-2-yl]triazol-1-yl]butylcarbamoyl]-3-pyridinyl]-4-(methylamino)-7-(trifluoromethyl)quinoline-3-carboxamide;2-(2,6-dioxopiperidin-3-yl)-4-(2-methylbut-3-yn-2-ylamino)isoindole-1,3-dione;iminoazanium is sourced from PubChem (CID 157430562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).