4-[[3-(3-fluoropyrrolidine-1-carbonyl)-1-benzofuran-6-yl]oxy]-7-methoxyquinoline-6-carboxamide;bis(4-[[3-(3-hydroxypyrrolidine-1-carbonyl)-1-benzofuran-6-yl]oxy]-7-methoxyquinoline-6-carboxamide);7-methoxy-4-[[3-(pyrrolidine-1-carbonyl)-1H-indol-6-yl]oxy]quinoline-6-carboxamide

C96H84FN13O21 — CID 159066504

IUPAC4-[[3-(3-fluoropyrrolidine-1-carbonyl)-1-benzofuran-6-yl]oxy]-7-methoxyquinoline-6-carboxamide;bis(4-[[3-(3-hydroxypyrrolidine-1-carbonyl)-1-benzofuran-6-yl]oxy]-7-methoxyquinoline-6-carboxamide);7-methoxy-4-[[3-(pyrrolidine-1-carbonyl)-1H-indol-6-yl]oxy]quinoline-6-carboxamide
SMILESCOc1cc2nccc(Oc3ccc4c(C(=O)N5CCC(F)C5)coc4c3)c2cc1C(N)=O.COc1cc2nccc(Oc3ccc4c(C(=O)N5CCC(O)C5)coc4c3)c2cc1C(N)=O.COc1cc2nccc(Oc3ccc4c(C(=O)N5CCC(O)C5)coc4c3)c2cc1C(N)=O.COc1cc2nccc(Oc3ccc4c(C(=O)N5CCCC5)c[nH]c4c3)c2cc1C(N)=O
InChIInChI=1S/C24H20FN3O5.C24H22N4O4.2C24H21N3O6/c1-31-21-10-19-16(9-17(21)23(26)29)20(4-6-27-19)33-14-2-3-15-18(12-32-22(15)8-14)24(30)28-7-5-13(25)11-28;1-31-22-12-20-16(11-17(22)23(25)29)21(6-7-26-20)32-14-4-5-15-18(13-27-19(15)10-14)24(30)28-8-2-3-9-28;2*1-31-21-10-19-16(9-17(21)23(25)29)20(4-6-26-19)33-14-2-3-15-18(12-32-22(15)8-14)24(30)27-7-5-13(28)11-27/h2-4,6,8-10,12-13H,5,7,11H2,1H3,(H2,26,29);4-7,10-13,27H,2-3,8-9H2,1H3,(H2,25,29);2*2-4,6,8-10,12-13,28H,5,7,11H2,1H3,(H2,25,29)
InChIKeyJZCVDRRVNBZYBR-UHFFFAOYSA-N
MW1774.80 g/mol
LogP14.09
Rot. Bonds20

About 4-[[3-(3-fluoropyrrolidine-1-carbonyl)-1-benzofuran-6-yl]oxy]-7-methoxyquinoline-6-carboxamide;bis(4-[[3-(3-hydroxypyrrolidine-1-carbonyl)-1-benzofuran-6-yl]oxy]-7-methoxyquinoline-6-carboxamide);7-methoxy-4-[[3-(pyrrolidine-1-carbonyl)-1H-indol-6-yl]oxy]quinoline-6-carboxamide

4-[[3-(3-fluoropyrrolidine-1-carbonyl)-1-benzofuran-6-yl]oxy]-7-methoxyquinoline-6-carboxamide;bis(4-[[3-(3-hydroxypyrrolidine-1-carbonyl)-1-benzofuran-6-yl]oxy]-7-methoxyquinoline-6-carboxamide);7-methoxy-4-[[3-(pyrrolidine-1-carbonyl)-1H-indol-6-yl]oxy]quinoline-6-carboxamide (PubChem CID 159066504) has the molecular formula C96H84FN13O21 and a molecular weight of 1774.80 g/mol. Its IUPAC name is 4-[[3-(3-fluoropyrrolidine-1-carbonyl)-1-benzofuran-6-yl]oxy]-7-methoxyquinoline-6-carboxamide;bis(4-[[3-(3-hydroxypyrrolidine-1-carbonyl)-1-benzofuran-6-yl]oxy]-7-methoxyquinoline-6-carboxamide);7-methoxy-4-[[3-(pyrrolidine-1-carbonyl)-1H-indol-6-yl]oxy]quinoline-6-carboxamide.

Molecular Properties

Compound Name4-[[3-(3-fluoropyrrolidine-1-carbonyl)-1-benzofuran-6-yl]oxy]-7-methoxyquinoline-6-carboxamide;bis(4-[[3-(3-hydroxypyrrolidine-1-carbonyl)-1-benzofuran-6-yl]oxy]-7-methoxyquinoline-6-carboxamide);7-methoxy-4-[[3-(pyrrolidine-1-carbonyl)-1H-indol-6-yl]oxy]quinoline-6-carboxamide
PubChem CID159066504
Molecular FormulaC96H84FN13O21
Molecular Weight1774.80 g/mol
Exact Mass1773.59
IUPAC Name4-[[3-(3-fluoropyrrolidine-1-carbonyl)-1-benzofuran-6-yl]oxy]-7-methoxyquinoline-6-carboxamide;bis(4-[[3-(3-hydroxypyrrolidine-1-carbonyl)-1-benzofuran-6-yl]oxy]-7-methoxyquinoline-6-carboxamide);7-methoxy-4-[[3-(pyrrolidine-1-carbonyl)-1H-indol-6-yl]oxy]quinoline-6-carboxamide
SMILESCOc1cc2nccc(Oc3ccc4c(C(=O)N5CCC(F)C5)coc4c3)c2cc1C(N)=O.COc1cc2nccc(Oc3ccc4c(C(=O)N5CCC(O)C5)coc4c3)c2cc1C(N)=O.COc1cc2nccc(Oc3ccc4c(C(=O)N5CCC(O)C5)coc4c3)c2cc1C(N)=O.COc1cc2nccc(Oc3ccc4c(C(=O)N5CCCC5)c[nH]c4c3)c2cc1C(N)=O
InChIInChI=1S/C24H20FN3O5.C24H22N4O4.2C24H21N3O6/c1-31-21-10-19-16(9-17(21)23(26)29)20(4-6-27-19)33-14-2-3-15-18(12-32-22(15)8-14)24(30)28-7-5-13(25)11-28;1-31-22-12-20-16(11-17(22)23(25)29)21(6-7-26-20)32-14-4-5-15-18(13-27-19(15)10-14)24(30)28-8-2-3-9-28;2*1-31-21-10-19-16(9-17(21)23(25)29)20(4-6-26-19)33-14-2-3-15-18(12-32-22(15)8-14)24(30)27-7-5-13(28)11-27/h2-4,6,8-10,12-13H,5,7,11H2,1H3,(H2,26,29);4-7,10-13,27H,2-3,8-9H2,1H3,(H2,25,29);2*2-4,6,8-10,12-13,28H,5,7,11H2,1H3,(H2,25,29)
InChIKeyJZCVDRRVNBZYBR-UHFFFAOYSA-N
XLogP14.09
TPSA474.67 Ų
H-Bond Donors7
H-Bond Acceptors25
Rotatable Bonds20
Heavy Atoms131
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001774.80
LogP ≤ 514.09
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1025

Analyze 4-[[3-(3-fluoropyrrolidine-1-carbonyl)-1-benzofuran-6-yl]oxy]-7-methoxyquinoline-6-carboxamide;bis(4-[[3-(3-hydroxypyrrolidine-1-carbonyl)-1-benzofuran-6-yl]oxy]-7-methoxyquinoline-6-carboxamide);7-methoxy-4-[[3-(pyrrolidine-1-carbonyl)-1H-indol-6-yl]oxy]quinoline-6-carboxamide with MolForge

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Related Compounds

5-[3-(tert-butylcarbamoyl)phenyl]-2-(4-fluorophenyl)-7-[[4-[2-(4-fluorophenyl)-3-(methylcarbamoyl)-6H-furo[2,3-e]indol-5-yl]-2-(2,2,3,3,4,4,4-heptafluorobutylcarbamoyl)phenoxy]methyl]-N-methyl-6H-furo[2,3-e]indole-3-carboxamide
CID 123503448
N-[2-[6-(difluoromethyl)-3-pyridinyl]-5-(11-fluoro-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl)-3-formyl-1-benzofuran-6-yl]-N-methylmethanesulfonamide;5-(11-fluoro-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-2-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1-benzofuran-3-carboxamide;N-methylmethanamine
CID 144681501
CID 157151283
CID 157151283
4-[[5-Chloro-3-(trideuteriomethylcarbamoyl)-1-benzofuran-6-yl]oxy]-7-methoxyquinoline-6-carboxamide;4-[[3-(3,3-difluoroazetidine-1-carbonyl)-1-benzofuran-6-yl]oxy]-7-methoxyquinoline-6-carboxamide;4-[[3-(ethylcarbamoyl)-5-fluoro-1-benzofuran-6-yl]oxy]-7-methoxyquinoline-6-carboxamide;7-methoxy-4-[[3-(pyrrolidine-1-carbonyl)-1-benzofuran-6-yl]oxy]quinoline-6-carboxamide
CID 157567975
4-(1-benzofuran-2-yl)-5-[(2S)-1-methylpyrrolidin-2-yl]furo[2,3-b]pyridine;(2S)-2-[3-(furan-2-yl)-1-benzofuran-5-yl]-1-methylpyrrolidine;4-methyl-7-[(2S)-1-methylpyrrolidin-2-yl]-2,3-dihydrofuro[3,2-c]pyridine;5-[(2S)-1-methylpyrrolidin-2-yl]-2,3-dihydrofuro[2,3-b]pyridine;6-[(2S)-1-methylpyrrolidin-2-yl]-2,3-dihydrofuro[3,2-b]pyridine;5-[(2S)-1-methylpyrrolidin-2-yl]furo[2,3-b]pyridine;5-[(2S)-1-methylpyrrolidin-2-yl]-1H-indole;5-[(2S)-1-methylpyrrolidin-2-yl]-4-(trifluoromethyl)-1,3-benzoxazole;5-[(2S)-1-methylpyrrolidin-2-yl]-4-(trifluoromethyl)-1H-indole
CID 158614763
5-[3-(tert-butylcarbamoyl)phenyl]-8-[2-(dimethylamino)-2-oxoacetyl]-N-methyl-2-(4-methylphenyl)-6H-furo[2,3-e]indole-3-carboxamide;2-[5-[3-(tert-butylcarbamoyl)phenyl]-3-(methylcarbamoyl)-2-(4-methylphenyl)-6H-furo[2,3-e]indol-8-yl]-2-oxoacetic acid;5-[3-(tert-butylcarbamoyl)phenyl]-N-methyl-8-[2-(methylamino)-2-oxoacetyl]-2-(4-methylphenyl)-6H-furo[2,3-e]indole-3-carboxamide;3-[3-(methylcarbamoyl)-2-(4-methylphenyl)-6H-furo[2,3-e]indol-5-yl]benzoic acid;3-[3-(methylcarbamoyl)-2-(4-methylphenyl)-6-(2,2,2-trifluoroacetyl)furo[2,3-e]indol-5-yl]benzoic acid
CID 160111786
CID 160562107
CID 160562107
4-[[5-chloro-3-(trideuteriomethylcarbamoyl)-1-benzofuran-6-yl]oxy]-7-methoxyquinoline-6-carboxamide;4-[[3-(3,3-difluoroazetidine-1-carbonyl)-1-benzofuran-6-yl]oxy]-7-methoxyquinoline-6-carboxamide;4-[[3-(3-fluoropyrrolidine-1-carbonyl)-1-benzofuran-6-yl]oxy]-7-methoxyquinoline-6-carboxamide;7-methoxy-4-[[3-(pyrrolidine-1-carbonyl)-1-benzofuran-6-yl]oxy]quinoline-6-carboxamide;7-methoxy-4-[[3-(pyrrolidine-1-carbonyl)-1H-indol-6-yl]oxy]quinoline-6-carboxamide
CID 161626694
5,14-Bis(pyrido[3,2-b]indol-5-yl)-23-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-9,18-dioxa-27-azaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3(8),4,6,11(19),12(17),13,15,21(26),22,24-dodecaene
CID 123509346
4-[[3-(3-Hydroxypyrrolidine-1-carbonyl)-1-benzofuran-6-yl]oxy]-7-methoxyquinoline-6-carboxamide
CID 134333903
4-[[3-[(3R)-3-hydroxypyrrolidine-1-carbonyl]-1-benzofuran-6-yl]oxy]-7-methoxyquinoline-6-carboxamide
CID 134334051
4-[[3-[(3S)-3-hydroxypyrrolidine-1-carbonyl]-1-benzofuran-6-yl]oxy]-7-methoxyquinoline-6-carboxamide
CID 134334218

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(3-fluoropyrrolidine-1-carbonyl)-1-benzofuran-6-yl]oxy]-7-methoxyquinoline-6-carboxamide;bis(4-[[3-(3-hydroxypyrrolidine-1-carbonyl)-1-benzofuran-6-yl]oxy]-7-methoxyquinoline-6-carboxamide);7-methoxy-4-[[3-(pyrrolidine-1-carbonyl)-1H-indol-6-yl]oxy]quinoline-6-carboxamide?
The IUPAC name of 4-[[3-(3-fluoropyrrolidine-1-carbonyl)-1-benzofuran-6-yl]oxy]-7-methoxyquinoline-6-carboxamide;bis(4-[[3-(3-hydroxypyrrolidine-1-carbonyl)-1-benzofuran-6-yl]oxy]-7-methoxyquinoline-6-carboxamide);7-methoxy-4-[[3-(pyrrolidine-1-carbonyl)-1H-indol-6-yl]oxy]quinoline-6-carboxamide (CID 159066504) is 4-[[3-(3-fluoropyrrolidine-1-carbonyl)-1-benzofuran-6-yl]oxy]-7-methoxyquinoline-6-carboxamide;bis(4-[[3-(3-hydroxypyrrolidine-1-carbonyl)-1-benzofuran-6-yl]oxy]-7-methoxyquinoline-6-carboxamide);7-methoxy-4-[[3-(pyrrolidine-1-carbonyl)-1H-indol-6-yl]oxy]quinoline-6-carboxamide.
What is the SMILES notation for 4-[[3-(3-fluoropyrrolidine-1-carbonyl)-1-benzofuran-6-yl]oxy]-7-methoxyquinoline-6-carboxamide;bis(4-[[3-(3-hydroxypyrrolidine-1-carbonyl)-1-benzofuran-6-yl]oxy]-7-methoxyquinoline-6-carboxamide);7-methoxy-4-[[3-(pyrrolidine-1-carbonyl)-1H-indol-6-yl]oxy]quinoline-6-carboxamide?
The canonical SMILES for 4-[[3-(3-fluoropyrrolidine-1-carbonyl)-1-benzofuran-6-yl]oxy]-7-methoxyquinoline-6-carboxamide;bis(4-[[3-(3-hydroxypyrrolidine-1-carbonyl)-1-benzofuran-6-yl]oxy]-7-methoxyquinoline-6-carboxamide);7-methoxy-4-[[3-(pyrrolidine-1-carbonyl)-1H-indol-6-yl]oxy]quinoline-6-carboxamide is COc1cc2nccc(Oc3ccc4c(C(=O)N5CCC(F)C5)coc4c3)c2cc1C(N)=O.COc1cc2nccc(Oc3ccc4c(C(=O)N5CCC(O)C5)coc4c3)c2cc1C(N)=O.COc1cc2nccc(Oc3ccc4c(C(=O)N5CCC(O)C5)coc4c3)c2cc1C(N)=O.COc1cc2nccc(Oc3ccc4c(C(=O)N5CCCC5)c[nH]c4c3)c2cc1C(N)=O.
What is the InChIKey of 4-[[3-(3-fluoropyrrolidine-1-carbonyl)-1-benzofuran-6-yl]oxy]-7-methoxyquinoline-6-carboxamide;bis(4-[[3-(3-hydroxypyrrolidine-1-carbonyl)-1-benzofuran-6-yl]oxy]-7-methoxyquinoline-6-carboxamide);7-methoxy-4-[[3-(pyrrolidine-1-carbonyl)-1H-indol-6-yl]oxy]quinoline-6-carboxamide?
The InChIKey is JZCVDRRVNBZYBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN3O5.C24H22N4O4.2C24H21N3O6/c1-31-21-10-19-16(9-17(21)23(26)29)20(4-6-27-19)33-14-2-3-15-18(12-32-22(15)8-14)24(30)28-7-5-13(25)11-28;1-31-22-12-20-16(11-17(22)23(25)29)21(6-7-26-20)32-14-4-5-15-18(13-27-19(15)10-14)24(30)28-8-2-3-9-28;2*1-31-21-10-19-16(9-17(21)23(25)29)20(4-6-26-19)33-14-2-3-15-18(12-32-22(15)8-14)24(30)27-7-5-13(28)11-27/h2-4,6,8-10,12-13H,5,7,11H2,1H3,(H2,26,29);4-7,10-13,27H,2-3,8-9H2,1H3,(H2,25,29);2*2-4,6,8-10,12-13,28H,5,7,11H2,1H3,(H2,25,29).
What are the key properties of 4-[[3-(3-fluoropyrrolidine-1-carbonyl)-1-benzofuran-6-yl]oxy]-7-methoxyquinoline-6-carboxamide;bis(4-[[3-(3-hydroxypyrrolidine-1-carbonyl)-1-benzofuran-6-yl]oxy]-7-methoxyquinoline-6-carboxamide);7-methoxy-4-[[3-(pyrrolidine-1-carbonyl)-1H-indol-6-yl]oxy]quinoline-6-carboxamide?
4-[[3-(3-fluoropyrrolidine-1-carbonyl)-1-benzofuran-6-yl]oxy]-7-methoxyquinoline-6-carboxamide;bis(4-[[3-(3-hydroxypyrrolidine-1-carbonyl)-1-benzofuran-6-yl]oxy]-7-methoxyquinoline-6-carboxamide);7-methoxy-4-[[3-(pyrrolidine-1-carbonyl)-1H-indol-6-yl]oxy]quinoline-6-carboxamide has a molecular weight of 1774.80 g/mol, XLogP of 14.09, 20 rotatable bonds, 7 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(3-fluoropyrrolidine-1-carbonyl)-1-benzofuran-6-yl]oxy]-7-methoxyquinoline-6-carboxamide;bis(4-[[3-(3-hydroxypyrrolidine-1-carbonyl)-1-benzofuran-6-yl]oxy]-7-methoxyquinoline-6-carboxamide);7-methoxy-4-[[3-(pyrrolidine-1-carbonyl)-1H-indol-6-yl]oxy]quinoline-6-carboxamide is sourced from PubChem (CID 159066504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).