7-[(4,4-dimethyl-2,6-dioxopiperidin-1-yl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;7-[(2,5-dioxoimidazolidin-1-yl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;7-[(2,5-dioxopyrrolidin-1-yl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[(3-methyl-2,5-dioxoimidazolidin-1-yl)methyl]quinoline-2-carboxamide

C86H70F4N14O12 — CID 159651992

IUPAC7-[(4,4-dimethyl-2,6-dioxopiperidin-1-yl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;7-[(2,5-dioxoimidazolidin-1-yl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;7-[(2,5-dioxopyrrolidin-1-yl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[(3-methyl-2,5-dioxoimidazolidin-1-yl)methyl]quinoline-2-carboxamide
SMILESCC1(C)CC(=O)N(Cc2ccc3c(-c4ccc(F)cc4)cc(C(N)=O)nc3c2)C(=O)C1.CN1CC(=O)N(Cc2ccc3c(-c4ccc(F)cc4)cc(C(N)=O)nc3c2)C1=O.NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CN3C(=O)CCC3=O)cc2n1.NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CN3C(=O)CNC3=O)cc2n1
InChIInChI=1S/C24H22FN3O3.C21H17FN4O3.C21H16FN3O3.C20H15FN4O3/c1-24(2)11-21(29)28(22(30)12-24)13-14-3-8-17-18(15-4-6-16(25)7-5-15)10-20(23(26)31)27-19(17)9-14;1-25-11-19(27)26(21(25)29)10-12-2-7-15-16(13-3-5-14(22)6-4-13)9-18(20(23)28)24-17(15)8-12;22-14-4-2-13(3-5-14)16-10-18(21(23)28)24-17-9-12(1-6-15(16)17)11-25-19(26)7-8-20(25)27;21-13-4-2-12(3-5-13)15-8-17(19(22)27)24-16-7-11(1-6-14(15)16)10-25-18(26)9-23-20(25)28/h3-10H,11-13H2,1-2H3,(H2,26,31);2-9H,10-11H2,1H3,(H2,23,28);1-6,9-10H,7-8,11H2,(H2,23,28);1-8H,9-10H2,(H2,22,27)(H,23,28)
InChIKeyMRRMTKOINSTDIQ-UHFFFAOYSA-N
MW1567.58 g/mol
LogP11.33
Rot. Bonds16

About 7-[(4,4-dimethyl-2,6-dioxopiperidin-1-yl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;7-[(2,5-dioxoimidazolidin-1-yl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;7-[(2,5-dioxopyrrolidin-1-yl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[(3-methyl-2,5-dioxoimidazolidin-1-yl)methyl]quinoline-2-carboxamide

7-[(4,4-dimethyl-2,6-dioxopiperidin-1-yl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;7-[(2,5-dioxoimidazolidin-1-yl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;7-[(2,5-dioxopyrrolidin-1-yl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[(3-methyl-2,5-dioxoimidazolidin-1-yl)methyl]quinoline-2-carboxamide (PubChem CID 159651992) has the molecular formula C86H70F4N14O12 and a molecular weight of 1567.58 g/mol. Its IUPAC name is 7-[(4,4-dimethyl-2,6-dioxopiperidin-1-yl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;7-[(2,5-dioxoimidazolidin-1-yl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;7-[(2,5-dioxopyrrolidin-1-yl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[(3-methyl-2,5-dioxoimidazolidin-1-yl)methyl]quinoline-2-carboxamide.

Molecular Properties

Compound Name7-[(4,4-dimethyl-2,6-dioxopiperidin-1-yl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;7-[(2,5-dioxoimidazolidin-1-yl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;7-[(2,5-dioxopyrrolidin-1-yl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[(3-methyl-2,5-dioxoimidazolidin-1-yl)methyl]quinoline-2-carboxamide
PubChem CID159651992
Molecular FormulaC86H70F4N14O12
Molecular Weight1567.58 g/mol
Exact Mass1566.52
IUPAC Name7-[(4,4-dimethyl-2,6-dioxopiperidin-1-yl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;7-[(2,5-dioxoimidazolidin-1-yl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;7-[(2,5-dioxopyrrolidin-1-yl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[(3-methyl-2,5-dioxoimidazolidin-1-yl)methyl]quinoline-2-carboxamide
SMILESCC1(C)CC(=O)N(Cc2ccc3c(-c4ccc(F)cc4)cc(C(N)=O)nc3c2)C(=O)C1.CN1CC(=O)N(Cc2ccc3c(-c4ccc(F)cc4)cc(C(N)=O)nc3c2)C1=O.NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CN3C(=O)CCC3=O)cc2n1.NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CN3C(=O)CNC3=O)cc2n1
InChIInChI=1S/C24H22FN3O3.C21H17FN4O3.C21H16FN3O3.C20H15FN4O3/c1-24(2)11-21(29)28(22(30)12-24)13-14-3-8-17-18(15-4-6-16(25)7-5-15)10-20(23(26)31)27-19(17)9-14;1-25-11-19(27)26(21(25)29)10-12-2-7-15-16(13-3-5-14(22)6-4-13)9-18(20(23)28)24-17(15)8-12;22-14-4-2-13(3-5-14)16-10-18(21(23)28)24-17-9-12(1-6-15(16)17)11-25-19(26)7-8-20(25)27;21-13-4-2-12(3-5-13)15-8-17(19(22)27)24-16-7-11(1-6-14(15)16)10-25-18(26)9-23-20(25)28/h3-10H,11-13H2,1-2H3,(H2,26,31);2-9H,10-11H2,1H3,(H2,23,28);1-6,9-10H,7-8,11H2,(H2,23,28);1-8H,9-10H2,(H2,22,27)(H,23,28)
InChIKeyMRRMTKOINSTDIQ-UHFFFAOYSA-N
XLogP11.33
TPSA388.71 Ų
H-Bond Donors5
H-Bond Acceptors16
Rotatable Bonds16
Heavy Atoms116
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001567.58
LogP ≤ 511.33
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

Analyze 7-[(4,4-dimethyl-2,6-dioxopiperidin-1-yl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;7-[(2,5-dioxoimidazolidin-1-yl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;7-[(2,5-dioxopyrrolidin-1-yl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[(3-methyl-2,5-dioxoimidazolidin-1-yl)methyl]quinoline-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-[(4,4-dimethyl-2,6-dioxopiperidin-1-yl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;7-[(2,5-dioxoimidazolidin-1-yl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;7-[(2,5-dioxopyrrolidin-1-yl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[(3-methyl-2,5-dioxoimidazolidin-1-yl)methyl]quinoline-2-carboxamide?
The IUPAC name of 7-[(4,4-dimethyl-2,6-dioxopiperidin-1-yl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;7-[(2,5-dioxoimidazolidin-1-yl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;7-[(2,5-dioxopyrrolidin-1-yl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[(3-methyl-2,5-dioxoimidazolidin-1-yl)methyl]quinoline-2-carboxamide (CID 159651992) is 7-[(4,4-dimethyl-2,6-dioxopiperidin-1-yl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;7-[(2,5-dioxoimidazolidin-1-yl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;7-[(2,5-dioxopyrrolidin-1-yl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[(3-methyl-2,5-dioxoimidazolidin-1-yl)methyl]quinoline-2-carboxamide.
What is the SMILES notation for 7-[(4,4-dimethyl-2,6-dioxopiperidin-1-yl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;7-[(2,5-dioxoimidazolidin-1-yl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;7-[(2,5-dioxopyrrolidin-1-yl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[(3-methyl-2,5-dioxoimidazolidin-1-yl)methyl]quinoline-2-carboxamide?
The canonical SMILES for 7-[(4,4-dimethyl-2,6-dioxopiperidin-1-yl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;7-[(2,5-dioxoimidazolidin-1-yl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;7-[(2,5-dioxopyrrolidin-1-yl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[(3-methyl-2,5-dioxoimidazolidin-1-yl)methyl]quinoline-2-carboxamide is CC1(C)CC(=O)N(Cc2ccc3c(-c4ccc(F)cc4)cc(C(N)=O)nc3c2)C(=O)C1.CN1CC(=O)N(Cc2ccc3c(-c4ccc(F)cc4)cc(C(N)=O)nc3c2)C1=O.NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CN3C(=O)CCC3=O)cc2n1.NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CN3C(=O)CNC3=O)cc2n1.
What is the InChIKey of 7-[(4,4-dimethyl-2,6-dioxopiperidin-1-yl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;7-[(2,5-dioxoimidazolidin-1-yl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;7-[(2,5-dioxopyrrolidin-1-yl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[(3-methyl-2,5-dioxoimidazolidin-1-yl)methyl]quinoline-2-carboxamide?
The InChIKey is MRRMTKOINSTDIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN3O3.C21H17FN4O3.C21H16FN3O3.C20H15FN4O3/c1-24(2)11-21(29)28(22(30)12-24)13-14-3-8-17-18(15-4-6-16(25)7-5-15)10-20(23(26)31)27-19(17)9-14;1-25-11-19(27)26(21(25)29)10-12-2-7-15-16(13-3-5-14(22)6-4-13)9-18(20(23)28)24-17(15)8-12;22-14-4-2-13(3-5-14)16-10-18(21(23)28)24-17-9-12(1-6-15(16)17)11-25-19(26)7-8-20(25)27;21-13-4-2-12(3-5-13)15-8-17(19(22)27)24-16-7-11(1-6-14(15)16)10-25-18(26)9-23-20(25)28/h3-10H,11-13H2,1-2H3,(H2,26,31);2-9H,10-11H2,1H3,(H2,23,28);1-6,9-10H,7-8,11H2,(H2,23,28);1-8H,9-10H2,(H2,22,27)(H,23,28).
What are the key properties of 7-[(4,4-dimethyl-2,6-dioxopiperidin-1-yl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;7-[(2,5-dioxoimidazolidin-1-yl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;7-[(2,5-dioxopyrrolidin-1-yl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[(3-methyl-2,5-dioxoimidazolidin-1-yl)methyl]quinoline-2-carboxamide?
7-[(4,4-dimethyl-2,6-dioxopiperidin-1-yl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;7-[(2,5-dioxoimidazolidin-1-yl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;7-[(2,5-dioxopyrrolidin-1-yl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[(3-methyl-2,5-dioxoimidazolidin-1-yl)methyl]quinoline-2-carboxamide has a molecular weight of 1567.58 g/mol, XLogP of 11.33, 16 rotatable bonds, 5 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4,4-dimethyl-2,6-dioxopiperidin-1-yl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;7-[(2,5-dioxoimidazolidin-1-yl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;7-[(2,5-dioxopyrrolidin-1-yl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[(3-methyl-2,5-dioxoimidazolidin-1-yl)methyl]quinoline-2-carboxamide is sourced from PubChem (CID 159651992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).