4-[[4-chloro-3-(2-cyclopropylacetyl)-1-benzofuran-6-yl]oxy]-7-methoxyquinoline-6-carboxamide;4-[[5-chloro-3-(pyrrolidine-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)

C120H101Cl2FN14O27 — CID 160847591

IUPAC4-[[4-chloro-3-(2-cyclopropylacetyl)-1-benzofuran-6-yl]oxy]-7-methoxyquinoline-6-carboxamide;4-[[5-chloro-3-(pyrrolidine-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)
SMILESCOc1cc2nccc(Oc3cc(Cl)c4c(C(=O)CC5CC5)coc4c3)c2cc1C(N)=O.COc1cc2nccc(Oc3cc4occ(C(=O)N5CCCC5)c4cc3Cl)c2cc1C(N)=O.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
InChIInChI=1S/C24H20ClN3O5.C24H19ClN2O5.C24H20FN3O5.2C24H21N3O6/c1-31-20-10-18-14(8-15(20)23(26)29)19(4-5-27-18)33-22-11-21-13(9-17(22)25)16(12-32-21)24(30)28-6-2-3-7-28;1-30-21-10-18-14(9-15(21)24(26)29)20(4-5-27-18)32-13-7-17(25)23-16(11-31-22(23)8-13)19(28)6-12-2-3-12;1-31-21-10-19-16(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/h4-5,8-12H,2-3,6-7H2,1H3,(H2,26,29);4-5,7-12H,2-3,6H2,1H3,(H2,26,29);2-4,6,8-10,12-13H,5,7,11H2,1H3,(H2,26,29);2*2-4,6,8-10,12-13,28H,5,7,11H2,1H3,(H2,25,29)
InChIKeySIVPJOIBQUNIRS-UHFFFAOYSA-N
MW2261.10 g/mol
LogP20.53
Rot. Bonds27

About 4-[[4-chloro-3-(2-cyclopropylacetyl)-1-benzofuran-6-yl]oxy]-7-methoxyquinoline-6-carboxamide;4-[[5-chloro-3-(pyrrolidine-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)

4-[[4-chloro-3-(2-cyclopropylacetyl)-1-benzofuran-6-yl]oxy]-7-methoxyquinoline-6-carboxamide;4-[[5-chloro-3-(pyrrolidine-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 160847591) has the molecular formula C120H101Cl2FN14O27 and a molecular weight of 2261.10 g/mol. Its IUPAC name is 4-[[4-chloro-3-(2-cyclopropylacetyl)-1-benzofuran-6-yl]oxy]-7-methoxyquinoline-6-carboxamide;4-[[5-chloro-3-(pyrrolidine-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).

Molecular Properties

Compound Name4-[[4-chloro-3-(2-cyclopropylacetyl)-1-benzofuran-6-yl]oxy]-7-methoxyquinoline-6-carboxamide;4-[[5-chloro-3-(pyrrolidine-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 CID160847591
Molecular FormulaC120H101Cl2FN14O27
Molecular Weight2261.10 g/mol
Exact Mass2258.63
IUPAC Name4-[[4-chloro-3-(2-cyclopropylacetyl)-1-benzofuran-6-yl]oxy]-7-methoxyquinoline-6-carboxamide;4-[[5-chloro-3-(pyrrolidine-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)
SMILESCOc1cc2nccc(Oc3cc(Cl)c4c(C(=O)CC5CC5)coc4c3)c2cc1C(N)=O.COc1cc2nccc(Oc3cc4occ(C(=O)N5CCCC5)c4cc3Cl)c2cc1C(N)=O.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
InChIInChI=1S/C24H20ClN3O5.C24H19ClN2O5.C24H20FN3O5.2C24H21N3O6/c1-31-20-10-18-14(8-15(20)23(26)29)19(4-5-27-18)33-22-11-21-13(9-17(22)25)16(12-32-21)24(30)28-6-2-3-7-28;1-30-21-10-18-14(9-15(21)24(26)29)20(4-5-27-18)32-13-7-17(25)23-16(11-31-22(23)8-13)19(28)6-12-2-3-12;1-31-21-10-19-16(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/h4-5,8-12H,2-3,6-7H2,1H3,(H2,26,29);4-5,7-12H,2-3,6H2,1H3,(H2,26,29);2-4,6,8-10,12-13H,5,7,11H2,1H3,(H2,26,29);2*2-4,6,8-10,12-13,28H,5,7,11H2,1H3,(H2,25,29)
InChIKeySIVPJOIBQUNIRS-UHFFFAOYSA-N
XLogP20.53
TPSA576.67 Ų
H-Bond Donors7
H-Bond Acceptors32
Rotatable Bonds27
Heavy Atoms164
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002261.10
LogP ≤ 520.53
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1032

Analyze 4-[[4-chloro-3-(2-cyclopropylacetyl)-1-benzofuran-6-yl]oxy]-7-methoxyquinoline-6-carboxamide;4-[[5-chloro-3-(pyrrolidine-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) with MolForge

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Related Compounds

4-[[3-(3-hydroxypyrrolidine-1-carbonyl)-1-benzofuran-6-yl]oxy]-7-methoxyquinoline-6-carboxamide
CID 134333903
4-[3-chloro-4-[(3-fluoroazetidine-1-carbothioyl)amino]phenoxy]-7-methoxyquinoline-6-carboxamide
CID 134333789
7-methoxy-4-[5-(morpholine-4-carbonyl)naphthalen-2-yl]oxyquinoline-6-carboxamide
CID 169101831
7-methoxy-4-[4-(2-oxo-2-pyrrolidin-1-ylethyl)phenoxy]quinoline-6-carboxamide
CID 134333891
4-[3-chloro-2-fluoro-4-[[(3R)-3-fluoropyrrolidine-1-carbothioyl]amino]phenoxy]-7-methoxyquinoline-6-carboxamide
CID 134334082
4-[3-chloro-4-[[(Z)-1-(cyclobutylamino)prop-1-enyl]amino]phenoxy]-7-methoxyquinoline-6-carboxamide
CID 145166651
4-[3-chloro-4-(3-cyclopropyl-2-oxopropyl)phenoxy]-7-[(2R)-2-hydroxy-3-pyrrolidin-1-ylpropoxy]quinoline-6-carboxamide
CID 58272663
4-(3-chlorophenoxy)-7-methoxyquinoline-6-carboxamide
CID 141404312
1-[2-chloro-4-[6-(2-cyclopropylacetyl)-7-methoxyquinolin-4-yl]oxyphenyl]-3-cyclopropylthiourea;4-[3-chloro-4-[(3-hydroxypyrrolidine-1-carbothioyl)amino]phenoxy]-7-methoxyquinoline-6-carboxamide;1-[2-chloro-4-[7-methoxy-6-(4-methoxybutanoyl)quinolin-4-yl]oxyphenyl]-3-cyclopropylthiourea;4-[3-chloro-4-(pyridin-3-ylmethylcarbamothioylamino)phenoxy]-7-methoxyquinoline-6-carboxamide;4-[3-chloro-4-[[3-(trifluoromethyl)phenyl]carbamothioylamino]phenoxy]-7-methoxyquinoline-6-carboxamide
CID 158716022
4-[3-chloro-4-(3-cyclopropyl-2-sulfanylidenepropyl)-2-fluorophenoxy]-7-methoxyquinoline-6-carboxamide
CID 147640053
4-[4-[3-[4-(6-carbamoyl-7-methoxyquinolin-4-yl)oxy-2-chlorophenyl]-2-oxopropyl]-3-chlorophenoxy]-7-methylquinoline-6-carboxamide
CID 157234662
4-[4-amino-3-(fluoromethyl)phenoxy]-7-methoxyquinoline-6-carboxamide
CID 89132178

Frequently Asked Questions

What is the IUPAC name of 4-[[4-chloro-3-(2-cyclopropylacetyl)-1-benzofuran-6-yl]oxy]-7-methoxyquinoline-6-carboxamide;4-[[5-chloro-3-(pyrrolidine-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)?
The IUPAC name of 4-[[4-chloro-3-(2-cyclopropylacetyl)-1-benzofuran-6-yl]oxy]-7-methoxyquinoline-6-carboxamide;4-[[5-chloro-3-(pyrrolidine-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) (CID 160847591) is 4-[[4-chloro-3-(2-cyclopropylacetyl)-1-benzofuran-6-yl]oxy]-7-methoxyquinoline-6-carboxamide;4-[[5-chloro-3-(pyrrolidine-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).
What is the SMILES notation for 4-[[4-chloro-3-(2-cyclopropylacetyl)-1-benzofuran-6-yl]oxy]-7-methoxyquinoline-6-carboxamide;4-[[5-chloro-3-(pyrrolidine-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)?
The canonical SMILES for 4-[[4-chloro-3-(2-cyclopropylacetyl)-1-benzofuran-6-yl]oxy]-7-methoxyquinoline-6-carboxamide;4-[[5-chloro-3-(pyrrolidine-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) is COc1cc2nccc(Oc3cc(Cl)c4c(C(=O)CC5CC5)coc4c3)c2cc1C(N)=O.COc1cc2nccc(Oc3cc4occ(C(=O)N5CCCC5)c4cc3Cl)c2cc1C(N)=O.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-[[4-chloro-3-(2-cyclopropylacetyl)-1-benzofuran-6-yl]oxy]-7-methoxyquinoline-6-carboxamide;4-[[5-chloro-3-(pyrrolidine-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)?
The InChIKey is SIVPJOIBQUNIRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClN3O5.C24H19ClN2O5.C24H20FN3O5.2C24H21N3O6/c1-31-20-10-18-14(8-15(20)23(26)29)19(4-5-27-18)33-22-11-21-13(9-17(22)25)16(12-32-21)24(30)28-6-2-3-7-28;1-30-21-10-18-14(9-15(21)24(26)29)20(4-5-27-18)32-13-7-17(25)23-16(11-31-22(23)8-13)19(28)6-12-2-3-12;1-31-21-10-19-16(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/h4-5,8-12H,2-3,6-7H2,1H3,(H2,26,29);4-5,7-12H,2-3,6H2,1H3,(H2,26,29);2-4,6,8-10,12-13H,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-[[4-chloro-3-(2-cyclopropylacetyl)-1-benzofuran-6-yl]oxy]-7-methoxyquinoline-6-carboxamide;4-[[5-chloro-3-(pyrrolidine-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)?
4-[[4-chloro-3-(2-cyclopropylacetyl)-1-benzofuran-6-yl]oxy]-7-methoxyquinoline-6-carboxamide;4-[[5-chloro-3-(pyrrolidine-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 2261.10 g/mol, XLogP of 20.53, 27 rotatable bonds, 7 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-chloro-3-(2-cyclopropylacetyl)-1-benzofuran-6-yl]oxy]-7-methoxyquinoline-6-carboxamide;4-[[5-chloro-3-(pyrrolidine-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) is sourced from PubChem (CID 160847591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).