6-N-(4-aminobutyl)-4-anilinoquinoline-3,6-dicarboxamide;4-anilino-3-carbamoylquinoline-6-carboxylic acid;4-anilino-6-N-[7-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-6-oxoheptyl]quinoline-3,6-dicarboxamide;tert-butyl N-(4-aminobutyl)carbamate;tert-butyl N-[4-[(4-anilino-3-carbamoylquinoline-6-carbonyl)amino]butyl]carbamate;2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetic acid;2,2,2-trifluoroacetaldehyde

C127H136F3N25O25 — CID 161278318

About 6-N-(4-aminobutyl)-4-anilinoquinoline-3,6-dicarboxamide;4-anilino-3-carbamoylquinoline-6-carboxylic acid;4-anilino-6-N-[7-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-6-oxoheptyl]quinoline-3,6-dicarboxamide;tert-butyl N-(4-aminobutyl)carbamate;tert-butyl N-[4-[(4-anilino-3-carbamoylquinoline-6-carbonyl)amino]butyl]carbamate;2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetic acid;2,2,2-trifluoroacetaldehyde

6-N-(4-aminobutyl)-4-anilinoquinoline-3,6-dicarboxamide;4-anilino-3-carbamoylquinoline-6-carboxylic acid;4-anilino-6-N-[7-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-6-oxoheptyl]quinoline-3,6-dicarboxamide;tert-butyl N-(4-aminobutyl)carbamate;tert-butyl N-[4-[(4-anilino-3-carbamoylquinoline-6-carbonyl)amino]butyl]carbamate;2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetic acid;2,2,2-trifluoroacetaldehyde (PubChem CID 161278318) has the molecular formula C127H136F3N25O25 and a molecular weight of 2469.63 g/mol. Its IUPAC name is 6-N-(4-aminobutyl)-4-anilinoquinoline-3,6-dicarboxamide;4-anilino-3-carbamoylquinoline-6-carboxylic acid;4-anilino-6-N-[7-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-6-oxoheptyl]quinoline-3,6-dicarboxamide;tert-butyl N-(4-aminobutyl)carbamate;tert-butyl N-[4-[(4-anilino-3-carbamoylquinoline-6-carbonyl)amino]butyl]carbamate;2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetic acid;2,2,2-trifluoroacetaldehyde.

Molecular Properties

• Compound Name: 6-N-(4-aminobutyl)-4-anilinoquinoline-3,6-dicarboxamide;4-anilino-3-carbamoylquinoline-6-carboxylic acid;4-anilino-6-N-[7-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-6-oxoheptyl]quinoline-3,6-dicarboxamide;tert-butyl N-(4-aminobutyl)carbamate;tert-butyl N-[4-[(4-anilino-3-carbamoylquinoline-6-carbonyl)amino]butyl]carbamate;2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetic acid;2,2,2-trifluoroacetaldehyde
• PubChem CID: 161278318
• Molecular Formula: C127H136F3N25O25
• Molecular Weight: 2469.63 g/mol
• Exact Mass: 2468.01
• IUPAC Name: 6-N-(4-aminobutyl)-4-anilinoquinoline-3,6-dicarboxamide;4-anilino-3-carbamoylquinoline-6-carboxylic acid;4-anilino-6-N-[7-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-6-oxoheptyl]quinoline-3,6-dicarboxamide;tert-butyl N-(4-aminobutyl)carbamate;tert-butyl N-[4-[(4-anilino-3-carbamoylquinoline-6-carbonyl)amino]butyl]carbamate;2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetic acid;2,2,2-trifluoroacetaldehyde
• SMILES: CC(C)(C)OC(=O)NCCCCN.CC(C)(C)OC(=O)NCCCCNC(=O)c1ccc2ncc(C(N)=O)c(Nc3ccccc3)c2c1.NC(=O)c1cnc2ccc(C(=O)NCCCCCC(=O)CNc3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4=O)cc2c1Nc1ccccc1.NC(=O)c1cnc2ccc(C(=O)O)cc2c1Nc1ccccc1.NCCCCNC(=O)c1ccc2ncc(C(N)=O)c(Nc3ccccc3)c2c1.O=C(O)CNc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O.O=CC(F)(F)F
• InChI: InChI=1S/C37H35N7O7.C26H31N5O4.C21H23N5O2.C17H13N3O3.C15H13N3O6.C9H20N2O2.C2HF3O/c38-33(47)26-20-41-27-14-13-21(18-25(27)32(26)42-22-8-3-1-4-9-22)34(48)39-17-6-2-5-10-23(45)19-40-28-12-7-11-24-31(28)37(51)44(36(24)50)29-15-16-30(46)43-35(29)49;1-26(2,3)35-25(34)29-14-8-7-13-28-24(33)17-11-12-21-19(15-17)22(20(16-30-21)23(27)32)31-18-9-5-4-6-10-18;22-10-4-5-11-24-21(28)14-8-9-18-16(12-14)19(17(13-25-18)20(23)27)26-15-6-2-1-3-7-15;18-16(21)13-9-19-14-7-6-10(17(22)23)8-12(14)15(13)20-11-4-2-1-3-5-11;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)11-7-5-4-6-10;3-2(4,5)1-6/h1,3-4,7-9,11-14,18,20,29,40H,2,5-6,10,15-17,19H2,(H2,38,47)(H,39,48)(H,41,42)(H,43,46,49);4-6,9-12,15-16H,7-8,13-14H2,1-3H3,(H2,27,32)(H,28,33)(H,29,34)(H,30,31);1-3,6-9,12-13H,4-5,10-11,22H2,(H2,23,27)(H,24,28)(H,25,26);1-9H,(H2,18,21)(H,19,20)(H,22,23);1-3,9,16H,4-6H2,(H,20,21)(H,17,19,22);4-7,10H2,1-3H3,(H,11,12);1H
• InChIKey: VESVFEQKQYLZKK-UHFFFAOYSA-N
• XLogP: 14.47
• TPSA: 787.94 Ų
• H-Bond Donors: 21
• H-Bond Acceptors: 35
• Rotatable Bonds: 43
• Heavy Atoms: 180
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2469.63
LogP ≤ 5	14.47
H-Bond Donors ≤ 5	21
H-Bond Acceptors ≤ 10	35

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-N-(4-aminobutyl)-4-anilinoquinoline-3,6-dicarboxamide;4-anilino-3-carbamoylquinoline-6-carboxylic acid;4-anilino-6-N-[7-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-6-oxoheptyl]quinoline-3,6-dicarboxamide;tert-butyl N-(4-aminobutyl)carbamate;tert-butyl N-[4-[(4-anilino-3-carbamoylquinoline-6-carbonyl)amino]butyl]carbamate;2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetic acid;2,2,2-trifluoroacetaldehyde?

The IUPAC name of 6-N-(4-aminobutyl)-4-anilinoquinoline-3,6-dicarboxamide;4-anilino-3-carbamoylquinoline-6-carboxylic acid;4-anilino-6-N-[7-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-6-oxoheptyl]quinoline-3,6-dicarboxamide;tert-butyl N-(4-aminobutyl)carbamate;tert-butyl N-[4-[(4-anilino-3-carbamoylquinoline-6-carbonyl)amino]butyl]carbamate;2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetic acid;2,2,2-trifluoroacetaldehyde (CID 161278318) is 6-N-(4-aminobutyl)-4-anilinoquinoline-3,6-dicarboxamide;4-anilino-3-carbamoylquinoline-6-carboxylic acid;4-anilino-6-N-[7-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-6-oxoheptyl]quinoline-3,6-dicarboxamide;tert-butyl N-(4-aminobutyl)carbamate;tert-butyl N-[4-[(4-anilino-3-carbamoylquinoline-6-carbonyl)amino]butyl]carbamate;2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetic acid;2,2,2-trifluoroacetaldehyde.

What is the SMILES notation for 6-N-(4-aminobutyl)-4-anilinoquinoline-3,6-dicarboxamide;4-anilino-3-carbamoylquinoline-6-carboxylic acid;4-anilino-6-N-[7-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-6-oxoheptyl]quinoline-3,6-dicarboxamide;tert-butyl N-(4-aminobutyl)carbamate;tert-butyl N-[4-[(4-anilino-3-carbamoylquinoline-6-carbonyl)amino]butyl]carbamate;2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetic acid;2,2,2-trifluoroacetaldehyde?

The canonical SMILES for 6-N-(4-aminobutyl)-4-anilinoquinoline-3,6-dicarboxamide;4-anilino-3-carbamoylquinoline-6-carboxylic acid;4-anilino-6-N-[7-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-6-oxoheptyl]quinoline-3,6-dicarboxamide;tert-butyl N-(4-aminobutyl)carbamate;tert-butyl N-[4-[(4-anilino-3-carbamoylquinoline-6-carbonyl)amino]butyl]carbamate;2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetic acid;2,2,2-trifluoroacetaldehyde is CC(C)(C)OC(=O)NCCCCN.CC(C)(C)OC(=O)NCCCCNC(=O)c1ccc2ncc(C(N)=O)c(Nc3ccccc3)c2c1.NC(=O)c1cnc2ccc(C(=O)NCCCCCC(=O)CNc3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4=O)cc2c1Nc1ccccc1.NC(=O)c1cnc2ccc(C(=O)O)cc2c1Nc1ccccc1.NCCCCNC(=O)c1ccc2ncc(C(N)=O)c(Nc3ccccc3)c2c1.O=C(O)CNc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O.O=CC(F)(F)F.

What is the InChIKey of 6-N-(4-aminobutyl)-4-anilinoquinoline-3,6-dicarboxamide;4-anilino-3-carbamoylquinoline-6-carboxylic acid;4-anilino-6-N-[7-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-6-oxoheptyl]quinoline-3,6-dicarboxamide;tert-butyl N-(4-aminobutyl)carbamate;tert-butyl N-[4-[(4-anilino-3-carbamoylquinoline-6-carbonyl)amino]butyl]carbamate;2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetic acid;2,2,2-trifluoroacetaldehyde?

The InChIKey is VESVFEQKQYLZKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H35N7O7.C26H31N5O4.C21H23N5O2.C17H13N3O3.C15H13N3O6.C9H20N2O2.C2HF3O/c38-33(47)26-20-41-27-14-13-21(18-25(27)32(26)42-22-8-3-1-4-9-22)34(48)39-17-6-2-5-10-23(45)19-40-28-12-7-11-24-31(28)37(51)44(36(24)50)29-15-16-30(46)43-35(29)49;1-26(2,3)35-25(34)29-14-8-7-13-28-24(33)17-11-12-21-19(15-17)22(20(16-30-21)23(27)32)31-18-9-5-4-6-10-18;22-10-4-5-11-24-21(28)14-8-9-18-16(12-14)19(17(13-25-18)20(23)27)26-15-6-2-1-3-7-15;18-16(21)13-9-19-14-7-6-10(17(22)23)8-12(14)15(13)20-11-4-2-1-3-5-11;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)11-7-5-4-6-10;3-2(4,5)1-6/h1,3-4,7-9,11-14,18,20,29,40H,2,5-6,10,15-17,19H2,(H2,38,47)(H,39,48)(H,41,42)(H,43,46,49);4-6,9-12,15-16H,7-8,13-14H2,1-3H3,(H2,27,32)(H,28,33)(H,29,34)(H,30,31);1-3,6-9,12-13H,4-5,10-11,22H2,(H2,23,27)(H,24,28)(H,25,26);1-9H,(H2,18,21)(H,19,20)(H,22,23);1-3,9,16H,4-6H2,(H,20,21)(H,17,19,22);4-7,10H2,1-3H3,(H,11,12);1H.

What are the key properties of 6-N-(4-aminobutyl)-4-anilinoquinoline-3,6-dicarboxamide;4-anilino-3-carbamoylquinoline-6-carboxylic acid;4-anilino-6-N-[7-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-6-oxoheptyl]quinoline-3,6-dicarboxamide;tert-butyl N-(4-aminobutyl)carbamate;tert-butyl N-[4-[(4-anilino-3-carbamoylquinoline-6-carbonyl)amino]butyl]carbamate;2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetic acid;2,2,2-trifluoroacetaldehyde?

6-N-(4-aminobutyl)-4-anilinoquinoline-3,6-dicarboxamide;4-anilino-3-carbamoylquinoline-6-carboxylic acid;4-anilino-6-N-[7-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-6-oxoheptyl]quinoline-3,6-dicarboxamide;tert-butyl N-(4-aminobutyl)carbamate;tert-butyl N-[4-[(4-anilino-3-carbamoylquinoline-6-carbonyl)amino]butyl]carbamate;2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetic acid;2,2,2-trifluoroacetaldehyde has a molecular weight of 2469.63 g/mol, XLogP of 14.47, 43 rotatable bonds, 21 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 6-N-(4-aminobutyl)-4-anilinoquinoline-3,6-dicarboxamide;4-anilino-3-carbamoylquinoline-6-carboxylic acid;4-anilino-6-N-[7-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-6-oxoheptyl]quinoline-3,6-dicarboxamide;tert-butyl N-(4-aminobutyl)carbamate;tert-butyl N-[4-[(4-anilino-3-carbamoylquinoline-6-carbonyl)amino]butyl]carbamate;2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetic acid;2,2,2-trifluoroacetaldehyde is sourced from PubChem (CID 161278318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).