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)

C72H62FN9O17 — CID 158902778

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)
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
InChIInChI=1S/C24H20FN3O5.2C24H21N3O6/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;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);2*2-4,6,8-10,12-13,28H,5,7,11H2,1H3,(H2,25,29)
InChIKeyJFQUFUCSAJGKAB-UHFFFAOYSA-N
MW1344.33 g/mol
LogP10.24
Rot. Bonds15

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)

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) (PubChem CID 158902778) has the molecular formula C72H62FN9O17 and a molecular weight of 1344.33 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).

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)
PubChem CID158902778
Molecular FormulaC72H62FN9O17
Molecular Weight1344.33 g/mol
Exact Mass1343.42
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)
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
InChIInChI=1S/C24H20FN3O5.2C24H21N3O6/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;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);2*2-4,6,8-10,12-13,28H,5,7,11H2,1H3,(H2,25,29)
InChIKeyJFQUFUCSAJGKAB-UHFFFAOYSA-N
XLogP10.24
TPSA364.13 Ų
H-Bond Donors5
H-Bond Acceptors20
Rotatable Bonds15
Heavy Atoms99
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001344.33
LogP ≤ 510.24
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1020

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) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[7-methoxy-6-(1-prop-2-enoylpiperidin-4-yl)quinolin-4-yl]oxy-N,2-dimethyl-1-benzofuran-3-carboxamide
CID 172449377
4-[[3-(Ethylcarbamoyl)-5-fluoro-1-benzofuran-6-yl]oxy]-7-methoxyquinoline-6-carboxamide
CID 134333813
4-[[3-(3,3-Difluoroazetidine-1-carbonyl)-1-benzofuran-6-yl]oxy]-7-methoxyquinoline-6-carboxamide
CID 134333895
4-[[3-(3-Fluoropyrrolidine-1-carbonyl)-1-benzofuran-6-yl]oxy]-7-methoxyquinoline-6-carboxamide
CID 134333896
4-[[5-Fluoro-3-(trihydroxymethylcarbamoyl)-1-benzofuran-6-yl]oxy]-7-methoxyquinoline-6-carboxamide
CID 134334013
4-[[3-[(3R)-3-fluoropyrrolidine-1-carbonyl]-1-benzofuran-6-yl]oxy]-7-methoxyquinoline-6-carboxamide
CID 134334041
4-[[3-[(3S)-3-fluoropyrrolidine-1-carbonyl]-1-benzofuran-6-yl]oxy]-7-methoxyquinoline-6-carboxamide
CID 134334063
4-[[3-(3-Fluoro-3-phosphanylazetidine-1-carbonyl)-4-hydroxy-1-benzofuran-6-yl]oxy]-7-methoxyquinoline-6-carboxamide
CID 145166671
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-[[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
bis((Z)-but-2-enedioic acid);N,2-dimethyl-6-[7-(2-morpholin-4-ylethoxy)quinolin-4-yl]oxy-1-benzofuran-3-carboxamide
CID 15945863
3-BenzofurancarboxaMide, N,2-diMethyl-6-[[7-[2-(4-Morpholinyl)ethoxy]-4-quinolinyl]oxy]-, (2Z)-2-butenedioate (1:2)
CID 67096608

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)?
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) (CID 158902778) 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).
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)?
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) 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.
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)?
The InChIKey is JFQUFUCSAJGKAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN3O5.2C24H21N3O6/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;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);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)?
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) has a molecular weight of 1344.33 g/mol, XLogP of 10.24, 15 rotatable bonds, 5 hydrogen bond donors, and 20 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) is sourced from PubChem (CID 158902778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).