6-[1-(6-aminohexyl)pyrazol-3-yl]-4-anilino-N-methylquinoline-3-carboxamide;4-anilino-6-[1-[6-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]hexyl]pyrazol-3-yl]-N-methylquinoline-3-carboxamide;deuterio(fluoro)methane;[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]methyl hydrogen carbonate

C83H85FN16O15 — CID 157388938

IUPAC6-[1-(6-aminohexyl)pyrazol-3-yl]-4-anilino-N-methylquinoline-3-carboxamide;4-anilino-6-[1-[6-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]hexyl]pyrazol-3-yl]-N-methylquinoline-3-carboxamide;deuterio(fluoro)methane;[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]methyl hydrogen carbonate
SMILESCNC(=O)c1cnc2ccc(-c3ccn(CCCCCCN)n3)cc2c1Nc1ccccc1.CNC(=O)c1cnc2ccc(-c3ccn(CCCCCCNC(=O)COc4cccc5c4C(=O)N(C4CCC(=O)NC4=O)C5=O)n3)cc2c1Nc1ccccc1.O=C1CCC(N2C(=O)c3cccc(COC(=O)O)c3C2=O)C(=O)N1.[2H]CF
InChIInChI=1S/C41H40N8O7.C26H30N6O.C15H12N2O7.CH3F/c1-42-38(52)29-23-44-31-15-14-25(22-28(31)37(29)45-26-10-5-4-6-11-26)30-18-21-48(47-30)20-8-3-2-7-19-43-35(51)24-56-33-13-9-12-27-36(33)41(55)49(40(27)54)32-16-17-34(50)46-39(32)53;1-28-26(33)22-18-29-24-12-11-19(17-21(24)25(22)30-20-9-5-4-6-10-20)23-13-16-32(31-23)15-8-3-2-7-14-27;18-10-5-4-9(12(19)16-10)17-13(20)8-3-1-2-7(6-24-15(22)23)11(8)14(17)21;1-2/h4-6,9-15,18,21-23,32H,2-3,7-8,16-17,19-20,24H2,1H3,(H,42,52)(H,43,51)(H,44,45)(H,46,50,53);4-6,9-13,16-18H,2-3,7-8,14-15,27H2,1H3,(H,28,33)(H,29,30);1-3,9H,4-6H2,(H,22,23)(H,16,18,19);1H3/i;;;1D
InChIKeyBLTOIASWTPRTBD-PBJKEDEQSA-N
MW1566.69 g/mol
LogP9.95
Rot. Bonds28

About 6-[1-(6-aminohexyl)pyrazol-3-yl]-4-anilino-N-methylquinoline-3-carboxamide;4-anilino-6-[1-[6-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]hexyl]pyrazol-3-yl]-N-methylquinoline-3-carboxamide;deuterio(fluoro)methane;[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]methyl hydrogen carbonate

6-[1-(6-aminohexyl)pyrazol-3-yl]-4-anilino-N-methylquinoline-3-carboxamide;4-anilino-6-[1-[6-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]hexyl]pyrazol-3-yl]-N-methylquinoline-3-carboxamide;deuterio(fluoro)methane;[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]methyl hydrogen carbonate (PubChem CID 157388938) has the molecular formula C83H85FN16O15 and a molecular weight of 1566.69 g/mol. Its IUPAC name is 6-[1-(6-aminohexyl)pyrazol-3-yl]-4-anilino-N-methylquinoline-3-carboxamide;4-anilino-6-[1-[6-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]hexyl]pyrazol-3-yl]-N-methylquinoline-3-carboxamide;deuterio(fluoro)methane;[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]methyl hydrogen carbonate.

Molecular Properties

Compound Name6-[1-(6-aminohexyl)pyrazol-3-yl]-4-anilino-N-methylquinoline-3-carboxamide;4-anilino-6-[1-[6-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]hexyl]pyrazol-3-yl]-N-methylquinoline-3-carboxamide;deuterio(fluoro)methane;[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]methyl hydrogen carbonate
PubChem CID157388938
Molecular FormulaC83H85FN16O15
Molecular Weight1566.69 g/mol
Exact Mass1565.64
IUPAC Name6-[1-(6-aminohexyl)pyrazol-3-yl]-4-anilino-N-methylquinoline-3-carboxamide;4-anilino-6-[1-[6-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]hexyl]pyrazol-3-yl]-N-methylquinoline-3-carboxamide;deuterio(fluoro)methane;[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]methyl hydrogen carbonate
SMILESCNC(=O)c1cnc2ccc(-c3ccn(CCCCCCN)n3)cc2c1Nc1ccccc1.CNC(=O)c1cnc2ccc(-c3ccn(CCCCCCNC(=O)COc4cccc5c4C(=O)N(C4CCC(=O)NC4=O)C5=O)n3)cc2c1Nc1ccccc1.O=C1CCC(N2C(=O)c3cccc(COC(=O)O)c3C2=O)C(=O)N1.[2H]CF
InChIInChI=1S/C41H40N8O7.C26H30N6O.C15H12N2O7.CH3F/c1-42-38(52)29-23-44-31-15-14-25(22-28(31)37(29)45-26-10-5-4-6-11-26)30-18-21-48(47-30)20-8-3-2-7-19-43-35(51)24-56-33-13-9-12-27-36(33)41(55)49(40(27)54)32-16-17-34(50)46-39(32)53;1-28-26(33)22-18-29-24-12-11-19(17-21(24)25(22)30-20-9-5-4-6-10-20)23-13-16-32(31-23)15-8-3-2-7-14-27;18-10-5-4-9(12(19)16-10)17-13(20)8-3-1-2-7(6-24-15(22)23)11(8)14(17)21;1-2/h4-6,9-15,18,21-23,32H,2-3,7-8,16-17,19-20,24H2,1H3,(H,42,52)(H,43,51)(H,44,45)(H,46,50,53);4-6,9-13,16-18H,2-3,7-8,14-15,27H2,1H3,(H,28,33)(H,29,30);1-3,9H,4-6H2,(H,22,23)(H,16,18,19);1H3/i;;;1D
InChIKeyBLTOIASWTPRTBD-PBJKEDEQSA-N
XLogP9.95
TPSA421.66 Ų
H-Bond Donors9
H-Bond Acceptors23
Rotatable Bonds28
Heavy Atoms115
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001566.69
LogP ≤ 59.95
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

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

Analyze 6-[1-(6-aminohexyl)pyrazol-3-yl]-4-anilino-N-methylquinoline-3-carboxamide;4-anilino-6-[1-[6-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]hexyl]pyrazol-3-yl]-N-methylquinoline-3-carboxamide;deuterio(fluoro)methane;[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]methyl hydrogen carbonate with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[1-(6-aminohexyl)pyrazol-3-yl]-4-anilino-N-methylquinoline-3-carboxamide;4-anilino-6-[1-[6-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]hexyl]pyrazol-3-yl]-N-methylquinoline-3-carboxamide;deuterio(fluoro)methane;[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]methyl hydrogen carbonate?
The IUPAC name of 6-[1-(6-aminohexyl)pyrazol-3-yl]-4-anilino-N-methylquinoline-3-carboxamide;4-anilino-6-[1-[6-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]hexyl]pyrazol-3-yl]-N-methylquinoline-3-carboxamide;deuterio(fluoro)methane;[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]methyl hydrogen carbonate (CID 157388938) is 6-[1-(6-aminohexyl)pyrazol-3-yl]-4-anilino-N-methylquinoline-3-carboxamide;4-anilino-6-[1-[6-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]hexyl]pyrazol-3-yl]-N-methylquinoline-3-carboxamide;deuterio(fluoro)methane;[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]methyl hydrogen carbonate.
What is the SMILES notation for 6-[1-(6-aminohexyl)pyrazol-3-yl]-4-anilino-N-methylquinoline-3-carboxamide;4-anilino-6-[1-[6-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]hexyl]pyrazol-3-yl]-N-methylquinoline-3-carboxamide;deuterio(fluoro)methane;[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]methyl hydrogen carbonate?
The canonical SMILES for 6-[1-(6-aminohexyl)pyrazol-3-yl]-4-anilino-N-methylquinoline-3-carboxamide;4-anilino-6-[1-[6-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]hexyl]pyrazol-3-yl]-N-methylquinoline-3-carboxamide;deuterio(fluoro)methane;[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]methyl hydrogen carbonate is CNC(=O)c1cnc2ccc(-c3ccn(CCCCCCN)n3)cc2c1Nc1ccccc1.CNC(=O)c1cnc2ccc(-c3ccn(CCCCCCNC(=O)COc4cccc5c4C(=O)N(C4CCC(=O)NC4=O)C5=O)n3)cc2c1Nc1ccccc1.O=C1CCC(N2C(=O)c3cccc(COC(=O)O)c3C2=O)C(=O)N1.[2H]CF.
What is the InChIKey of 6-[1-(6-aminohexyl)pyrazol-3-yl]-4-anilino-N-methylquinoline-3-carboxamide;4-anilino-6-[1-[6-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]hexyl]pyrazol-3-yl]-N-methylquinoline-3-carboxamide;deuterio(fluoro)methane;[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]methyl hydrogen carbonate?
The InChIKey is BLTOIASWTPRTBD-PBJKEDEQSA-N. The full InChI is InChI=1S/C41H40N8O7.C26H30N6O.C15H12N2O7.CH3F/c1-42-38(52)29-23-44-31-15-14-25(22-28(31)37(29)45-26-10-5-4-6-11-26)30-18-21-48(47-30)20-8-3-2-7-19-43-35(51)24-56-33-13-9-12-27-36(33)41(55)49(40(27)54)32-16-17-34(50)46-39(32)53;1-28-26(33)22-18-29-24-12-11-19(17-21(24)25(22)30-20-9-5-4-6-10-20)23-13-16-32(31-23)15-8-3-2-7-14-27;18-10-5-4-9(12(19)16-10)17-13(20)8-3-1-2-7(6-24-15(22)23)11(8)14(17)21;1-2/h4-6,9-15,18,21-23,32H,2-3,7-8,16-17,19-20,24H2,1H3,(H,42,52)(H,43,51)(H,44,45)(H,46,50,53);4-6,9-13,16-18H,2-3,7-8,14-15,27H2,1H3,(H,28,33)(H,29,30);1-3,9H,4-6H2,(H,22,23)(H,16,18,19);1H3/i;;;1D.
What are the key properties of 6-[1-(6-aminohexyl)pyrazol-3-yl]-4-anilino-N-methylquinoline-3-carboxamide;4-anilino-6-[1-[6-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]hexyl]pyrazol-3-yl]-N-methylquinoline-3-carboxamide;deuterio(fluoro)methane;[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]methyl hydrogen carbonate?
6-[1-(6-aminohexyl)pyrazol-3-yl]-4-anilino-N-methylquinoline-3-carboxamide;4-anilino-6-[1-[6-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]hexyl]pyrazol-3-yl]-N-methylquinoline-3-carboxamide;deuterio(fluoro)methane;[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]methyl hydrogen carbonate has a molecular weight of 1566.69 g/mol, XLogP of 9.95, 28 rotatable bonds, 9 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(6-aminohexyl)pyrazol-3-yl]-4-anilino-N-methylquinoline-3-carboxamide;4-anilino-6-[1-[6-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]hexyl]pyrazol-3-yl]-N-methylquinoline-3-carboxamide;deuterio(fluoro)methane;[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]methyl hydrogen carbonate is sourced from PubChem (CID 157388938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).