1-[3-fluoro-4-[6-(2-hydroxy-2-methylpropoxy)-7-methylquinolin-4-yl]oxyanilino]-7-(4-methylphenyl)-5H-isoquinolin-8-one;1-[3-fluoro-4-[7-(2-hydroxy-2-methylpropoxy)quinolin-4-yl]oxyanilino]-7-(2-fluorophenyl)-5H-isoquinolin-8-one;1-[3-fluoro-4-[7-(2-hydroxy-2-methylpropoxy)quinolin-4-yl]oxyanilino]-7-(3-methylphenyl)-5H-isoquinolin-8-one;1-[3-fluoro-4-[7-(2-hydroxy-2-methylpropoxy)quinolin-4-yl]oxyanilino]-7-phenyl-5H-isoquinolin-8-one

C139H117F5N12O16 — CID 160897621

IUPAC1-[3-fluoro-4-[6-(2-hydroxy-2-methylpropoxy)-7-methylquinolin-4-yl]oxyanilino]-7-(4-methylphenyl)-5H-isoquinolin-8-one;1-[3-fluoro-4-[7-(2-hydroxy-2-methylpropoxy)quinolin-4-yl]oxyanilino]-7-(2-fluorophenyl)-5H-isoquinolin-8-one;1-[3-fluoro-4-[7-(2-hydroxy-2-methylpropoxy)quinolin-4-yl]oxyanilino]-7-(3-methylphenyl)-5H-isoquinolin-8-one;1-[3-fluoro-4-[7-(2-hydroxy-2-methylpropoxy)quinolin-4-yl]oxyanilino]-7-phenyl-5H-isoquinolin-8-one
SMILESCC(C)(O)COc1ccc2c(Oc3ccc(Nc4nccc5c4C(=O)C(c4ccccc4)=CC5)cc3F)ccnc2c1.CC(C)(O)COc1ccc2c(Oc3ccc(Nc4nccc5c4C(=O)C(c4ccccc4F)=CC5)cc3F)ccnc2c1.Cc1ccc(C2=CCc3ccnc(Nc4ccc(Oc5ccnc6cc(C)c(OCC(C)(C)O)cc56)c(F)c4)c3C2=O)cc1.Cc1cccc(C2=CCc3ccnc(Nc4ccc(Oc5ccnc6cc(OCC(C)(C)O)ccc56)c(F)c4)c3C2=O)c1
InChIInChI=1S/C36H32FN3O4.C35H30FN3O4.C34H27F2N3O4.C34H28FN3O4/c1-21-5-7-23(8-6-21)26-11-9-24-13-15-39-35(33(24)34(26)41)40-25-10-12-31(28(37)18-25)44-30-14-16-38-29-17-22(2)32(19-27(29)30)43-20-36(3,4)42;1-21-5-4-6-23(17-21)26-10-7-22-13-15-38-34(32(22)33(26)40)39-24-8-12-31(28(36)18-24)43-30-14-16-37-29-19-25(9-11-27(29)30)42-20-35(2,3)41;1-34(2,41)19-42-22-9-11-25-28(18-22)37-16-14-29(25)43-30-12-8-21(17-27(30)36)39-33-31-20(13-15-38-33)7-10-24(32(31)40)23-5-3-4-6-26(23)35;1-34(2,40)20-41-24-10-12-26-28(19-24)36-17-15-29(26)42-30-13-9-23(18-27(30)35)38-33-31-22(14-16-37-33)8-11-25(32(31)39)21-6-4-3-5-7-21/h5-8,10-19,42H,9,20H2,1-4H3,(H,39,40);4-6,8-19,41H,7,20H2,1-3H3,(H,38,39);3-6,8-18,41H,7,19H2,1-2H3,(H,38,39);3-7,9-19,40H,8,20H2,1-2H3,(H,37,38)
InChIKeySPBSTAYRYUDPSD-UHFFFAOYSA-N
MW2306.52 g/mol
LogP30.17
Rot. Bonds32

About 1-[3-fluoro-4-[6-(2-hydroxy-2-methylpropoxy)-7-methylquinolin-4-yl]oxyanilino]-7-(4-methylphenyl)-5H-isoquinolin-8-one;1-[3-fluoro-4-[7-(2-hydroxy-2-methylpropoxy)quinolin-4-yl]oxyanilino]-7-(2-fluorophenyl)-5H-isoquinolin-8-one;1-[3-fluoro-4-[7-(2-hydroxy-2-methylpropoxy)quinolin-4-yl]oxyanilino]-7-(3-methylphenyl)-5H-isoquinolin-8-one;1-[3-fluoro-4-[7-(2-hydroxy-2-methylpropoxy)quinolin-4-yl]oxyanilino]-7-phenyl-5H-isoquinolin-8-one

1-[3-fluoro-4-[6-(2-hydroxy-2-methylpropoxy)-7-methylquinolin-4-yl]oxyanilino]-7-(4-methylphenyl)-5H-isoquinolin-8-one;1-[3-fluoro-4-[7-(2-hydroxy-2-methylpropoxy)quinolin-4-yl]oxyanilino]-7-(2-fluorophenyl)-5H-isoquinolin-8-one;1-[3-fluoro-4-[7-(2-hydroxy-2-methylpropoxy)quinolin-4-yl]oxyanilino]-7-(3-methylphenyl)-5H-isoquinolin-8-one;1-[3-fluoro-4-[7-(2-hydroxy-2-methylpropoxy)quinolin-4-yl]oxyanilino]-7-phenyl-5H-isoquinolin-8-one (PubChem CID 160897621) has the molecular formula C139H117F5N12O16 and a molecular weight of 2306.52 g/mol. Its IUPAC name is 1-[3-fluoro-4-[6-(2-hydroxy-2-methylpropoxy)-7-methylquinolin-4-yl]oxyanilino]-7-(4-methylphenyl)-5H-isoquinolin-8-one;1-[3-fluoro-4-[7-(2-hydroxy-2-methylpropoxy)quinolin-4-yl]oxyanilino]-7-(2-fluorophenyl)-5H-isoquinolin-8-one;1-[3-fluoro-4-[7-(2-hydroxy-2-methylpropoxy)quinolin-4-yl]oxyanilino]-7-(3-methylphenyl)-5H-isoquinolin-8-one;1-[3-fluoro-4-[7-(2-hydroxy-2-methylpropoxy)quinolin-4-yl]oxyanilino]-7-phenyl-5H-isoquinolin-8-one.

Molecular Properties

Compound Name1-[3-fluoro-4-[6-(2-hydroxy-2-methylpropoxy)-7-methylquinolin-4-yl]oxyanilino]-7-(4-methylphenyl)-5H-isoquinolin-8-one;1-[3-fluoro-4-[7-(2-hydroxy-2-methylpropoxy)quinolin-4-yl]oxyanilino]-7-(2-fluorophenyl)-5H-isoquinolin-8-one;1-[3-fluoro-4-[7-(2-hydroxy-2-methylpropoxy)quinolin-4-yl]oxyanilino]-7-(3-methylphenyl)-5H-isoquinolin-8-one;1-[3-fluoro-4-[7-(2-hydroxy-2-methylpropoxy)quinolin-4-yl]oxyanilino]-7-phenyl-5H-isoquinolin-8-one
PubChem CID160897621
Molecular FormulaC139H117F5N12O16
Molecular Weight2306.52 g/mol
Exact Mass2304.86
IUPAC Name1-[3-fluoro-4-[6-(2-hydroxy-2-methylpropoxy)-7-methylquinolin-4-yl]oxyanilino]-7-(4-methylphenyl)-5H-isoquinolin-8-one;1-[3-fluoro-4-[7-(2-hydroxy-2-methylpropoxy)quinolin-4-yl]oxyanilino]-7-(2-fluorophenyl)-5H-isoquinolin-8-one;1-[3-fluoro-4-[7-(2-hydroxy-2-methylpropoxy)quinolin-4-yl]oxyanilino]-7-(3-methylphenyl)-5H-isoquinolin-8-one;1-[3-fluoro-4-[7-(2-hydroxy-2-methylpropoxy)quinolin-4-yl]oxyanilino]-7-phenyl-5H-isoquinolin-8-one
SMILESCC(C)(O)COc1ccc2c(Oc3ccc(Nc4nccc5c4C(=O)C(c4ccccc4)=CC5)cc3F)ccnc2c1.CC(C)(O)COc1ccc2c(Oc3ccc(Nc4nccc5c4C(=O)C(c4ccccc4F)=CC5)cc3F)ccnc2c1.Cc1ccc(C2=CCc3ccnc(Nc4ccc(Oc5ccnc6cc(C)c(OCC(C)(C)O)cc56)c(F)c4)c3C2=O)cc1.Cc1cccc(C2=CCc3ccnc(Nc4ccc(Oc5ccnc6cc(OCC(C)(C)O)ccc56)c(F)c4)c3C2=O)c1
InChIInChI=1S/C36H32FN3O4.C35H30FN3O4.C34H27F2N3O4.C34H28FN3O4/c1-21-5-7-23(8-6-21)26-11-9-24-13-15-39-35(33(24)34(26)41)40-25-10-12-31(28(37)18-25)44-30-14-16-38-29-17-22(2)32(19-27(29)30)43-20-36(3,4)42;1-21-5-4-6-23(17-21)26-10-7-22-13-15-38-34(32(22)33(26)40)39-24-8-12-31(28(36)18-24)43-30-14-16-37-29-19-25(9-11-27(29)30)42-20-35(2,3)41;1-34(2,41)19-42-22-9-11-25-28(18-22)37-16-14-29(25)43-30-12-8-21(17-27(30)36)39-33-31-20(13-15-38-33)7-10-24(32(31)40)23-5-3-4-6-26(23)35;1-34(2,40)20-41-24-10-12-26-28(19-24)36-17-15-29(26)42-30-13-9-23(18-27(30)35)38-33-31-22(14-16-37-33)8-11-25(32(31)39)21-6-4-3-5-7-21/h5-8,10-19,42H,9,20H2,1-4H3,(H,39,40);4-6,8-19,41H,7,20H2,1-3H3,(H,38,39);3-6,8-18,41H,7,19H2,1-2H3,(H,38,39);3-7,9-19,40H,8,20H2,1-2H3,(H,37,38)
InChIKeySPBSTAYRYUDPSD-UHFFFAOYSA-N
XLogP30.17
TPSA374.28 Ų
H-Bond Donors8
H-Bond Acceptors28
Rotatable Bonds32
Heavy Atoms172
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002306.52
LogP ≤ 530.17
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1028

Analyze 1-[3-fluoro-4-[6-(2-hydroxy-2-methylpropoxy)-7-methylquinolin-4-yl]oxyanilino]-7-(4-methylphenyl)-5H-isoquinolin-8-one;1-[3-fluoro-4-[7-(2-hydroxy-2-methylpropoxy)quinolin-4-yl]oxyanilino]-7-(2-fluorophenyl)-5H-isoquinolin-8-one;1-[3-fluoro-4-[7-(2-hydroxy-2-methylpropoxy)quinolin-4-yl]oxyanilino]-7-(3-methylphenyl)-5H-isoquinolin-8-one;1-[3-fluoro-4-[7-(2-hydroxy-2-methylpropoxy)quinolin-4-yl]oxyanilino]-7-phenyl-5H-isoquinolin-8-one with MolForge

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Related Compounds

5-[3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyanilino]-3-(4-fluorophenyl)-1H-1,6-naphthyridin-4-one
CID 71621318
5-[3-fluoro-4-[7-methoxy-6-(3-piperidin-1-ylpropoxy)quinazolin-4-yl]oxyanilino]-3-(4-fluorophenyl)-1H-1,6-naphthyridin-4-one
CID 71621321
5-[3-fluoro-4-[7-methoxy-6-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]oxyanilino]-3-(4-fluorophenyl)-1H-1,6-naphthyridin-4-one
CID 71621474
5-[3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]oxyanilino]-3-(4-fluorophenyl)-1H-1,6-naphthyridin-4-one
CID 71621476
5-[4-[6-[3-(diethylamino)propoxy]-7-methoxyquinazolin-4-yl]oxy-3-fluoroanilino]-3-(4-fluorophenyl)-1H-1,6-naphthyridin-4-one
CID 71621477
5-[3-fluoro-4-[6-methoxy-7-(2-morpholin-4-ylethoxy)quinazolin-4-yl]oxyanilino]-3-(4-fluorophenyl)-1H-1,6-naphthyridin-4-one
CID 71621635
5-[3-fluoro-4-[7-methoxy-6-(2-methoxyethoxy)quinazolin-4-yl]oxyanilino]-3-(4-fluorophenyl)-1H-1,6-naphthyridin-4-one
CID 71621790
5-[3-fluoro-4-[6-methoxy-7-(2-methoxyethoxy)quinazolin-4-yl]oxyanilino]-3-(4-fluorophenyl)-1H-1,6-naphthyridin-4-one
CID 71621791
5-[4-[6,7-bis(2-methoxyethoxy)quinazolin-4-yl]oxy-3-fluoroanilino]-3-(4-fluorophenyl)-1H-1,6-naphthyridin-4-one
CID 71621792
5-[4-(6,7-Dimethoxyquinazolin-4-yl)oxy-3-fluoroanilino]-3-(4-fluorophenyl)-1-phenacyl-1,6-naphthyridin-4-one
CID 71621932
5-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluoroanilino]-3-(4-fluorophenyl)-1H-1,6-naphthyridin-4-one
CID 71622610
5-[4-(6,7-Dimethoxyquinazolin-4-yl)oxy-3-fluoroanilino]-1-ethyl-3-(4-fluorophenyl)-1,6-naphthyridin-4-one
CID 89669572

Frequently Asked Questions

What is the IUPAC name of 1-[3-fluoro-4-[6-(2-hydroxy-2-methylpropoxy)-7-methylquinolin-4-yl]oxyanilino]-7-(4-methylphenyl)-5H-isoquinolin-8-one;1-[3-fluoro-4-[7-(2-hydroxy-2-methylpropoxy)quinolin-4-yl]oxyanilino]-7-(2-fluorophenyl)-5H-isoquinolin-8-one;1-[3-fluoro-4-[7-(2-hydroxy-2-methylpropoxy)quinolin-4-yl]oxyanilino]-7-(3-methylphenyl)-5H-isoquinolin-8-one;1-[3-fluoro-4-[7-(2-hydroxy-2-methylpropoxy)quinolin-4-yl]oxyanilino]-7-phenyl-5H-isoquinolin-8-one?
The IUPAC name of 1-[3-fluoro-4-[6-(2-hydroxy-2-methylpropoxy)-7-methylquinolin-4-yl]oxyanilino]-7-(4-methylphenyl)-5H-isoquinolin-8-one;1-[3-fluoro-4-[7-(2-hydroxy-2-methylpropoxy)quinolin-4-yl]oxyanilino]-7-(2-fluorophenyl)-5H-isoquinolin-8-one;1-[3-fluoro-4-[7-(2-hydroxy-2-methylpropoxy)quinolin-4-yl]oxyanilino]-7-(3-methylphenyl)-5H-isoquinolin-8-one;1-[3-fluoro-4-[7-(2-hydroxy-2-methylpropoxy)quinolin-4-yl]oxyanilino]-7-phenyl-5H-isoquinolin-8-one (CID 160897621) is 1-[3-fluoro-4-[6-(2-hydroxy-2-methylpropoxy)-7-methylquinolin-4-yl]oxyanilino]-7-(4-methylphenyl)-5H-isoquinolin-8-one;1-[3-fluoro-4-[7-(2-hydroxy-2-methylpropoxy)quinolin-4-yl]oxyanilino]-7-(2-fluorophenyl)-5H-isoquinolin-8-one;1-[3-fluoro-4-[7-(2-hydroxy-2-methylpropoxy)quinolin-4-yl]oxyanilino]-7-(3-methylphenyl)-5H-isoquinolin-8-one;1-[3-fluoro-4-[7-(2-hydroxy-2-methylpropoxy)quinolin-4-yl]oxyanilino]-7-phenyl-5H-isoquinolin-8-one.
What is the SMILES notation for 1-[3-fluoro-4-[6-(2-hydroxy-2-methylpropoxy)-7-methylquinolin-4-yl]oxyanilino]-7-(4-methylphenyl)-5H-isoquinolin-8-one;1-[3-fluoro-4-[7-(2-hydroxy-2-methylpropoxy)quinolin-4-yl]oxyanilino]-7-(2-fluorophenyl)-5H-isoquinolin-8-one;1-[3-fluoro-4-[7-(2-hydroxy-2-methylpropoxy)quinolin-4-yl]oxyanilino]-7-(3-methylphenyl)-5H-isoquinolin-8-one;1-[3-fluoro-4-[7-(2-hydroxy-2-methylpropoxy)quinolin-4-yl]oxyanilino]-7-phenyl-5H-isoquinolin-8-one?
The canonical SMILES for 1-[3-fluoro-4-[6-(2-hydroxy-2-methylpropoxy)-7-methylquinolin-4-yl]oxyanilino]-7-(4-methylphenyl)-5H-isoquinolin-8-one;1-[3-fluoro-4-[7-(2-hydroxy-2-methylpropoxy)quinolin-4-yl]oxyanilino]-7-(2-fluorophenyl)-5H-isoquinolin-8-one;1-[3-fluoro-4-[7-(2-hydroxy-2-methylpropoxy)quinolin-4-yl]oxyanilino]-7-(3-methylphenyl)-5H-isoquinolin-8-one;1-[3-fluoro-4-[7-(2-hydroxy-2-methylpropoxy)quinolin-4-yl]oxyanilino]-7-phenyl-5H-isoquinolin-8-one is CC(C)(O)COc1ccc2c(Oc3ccc(Nc4nccc5c4C(=O)C(c4ccccc4)=CC5)cc3F)ccnc2c1.CC(C)(O)COc1ccc2c(Oc3ccc(Nc4nccc5c4C(=O)C(c4ccccc4F)=CC5)cc3F)ccnc2c1.Cc1ccc(C2=CCc3ccnc(Nc4ccc(Oc5ccnc6cc(C)c(OCC(C)(C)O)cc56)c(F)c4)c3C2=O)cc1.Cc1cccc(C2=CCc3ccnc(Nc4ccc(Oc5ccnc6cc(OCC(C)(C)O)ccc56)c(F)c4)c3C2=O)c1.
What is the InChIKey of 1-[3-fluoro-4-[6-(2-hydroxy-2-methylpropoxy)-7-methylquinolin-4-yl]oxyanilino]-7-(4-methylphenyl)-5H-isoquinolin-8-one;1-[3-fluoro-4-[7-(2-hydroxy-2-methylpropoxy)quinolin-4-yl]oxyanilino]-7-(2-fluorophenyl)-5H-isoquinolin-8-one;1-[3-fluoro-4-[7-(2-hydroxy-2-methylpropoxy)quinolin-4-yl]oxyanilino]-7-(3-methylphenyl)-5H-isoquinolin-8-one;1-[3-fluoro-4-[7-(2-hydroxy-2-methylpropoxy)quinolin-4-yl]oxyanilino]-7-phenyl-5H-isoquinolin-8-one?
The InChIKey is SPBSTAYRYUDPSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H32FN3O4.C35H30FN3O4.C34H27F2N3O4.C34H28FN3O4/c1-21-5-7-23(8-6-21)26-11-9-24-13-15-39-35(33(24)34(26)41)40-25-10-12-31(28(37)18-25)44-30-14-16-38-29-17-22(2)32(19-27(29)30)43-20-36(3,4)42;1-21-5-4-6-23(17-21)26-10-7-22-13-15-38-34(32(22)33(26)40)39-24-8-12-31(28(36)18-24)43-30-14-16-37-29-19-25(9-11-27(29)30)42-20-35(2,3)41;1-34(2,41)19-42-22-9-11-25-28(18-22)37-16-14-29(25)43-30-12-8-21(17-27(30)36)39-33-31-20(13-15-38-33)7-10-24(32(31)40)23-5-3-4-6-26(23)35;1-34(2,40)20-41-24-10-12-26-28(19-24)36-17-15-29(26)42-30-13-9-23(18-27(30)35)38-33-31-22(14-16-37-33)8-11-25(32(31)39)21-6-4-3-5-7-21/h5-8,10-19,42H,9,20H2,1-4H3,(H,39,40);4-6,8-19,41H,7,20H2,1-3H3,(H,38,39);3-6,8-18,41H,7,19H2,1-2H3,(H,38,39);3-7,9-19,40H,8,20H2,1-2H3,(H,37,38).
What are the key properties of 1-[3-fluoro-4-[6-(2-hydroxy-2-methylpropoxy)-7-methylquinolin-4-yl]oxyanilino]-7-(4-methylphenyl)-5H-isoquinolin-8-one;1-[3-fluoro-4-[7-(2-hydroxy-2-methylpropoxy)quinolin-4-yl]oxyanilino]-7-(2-fluorophenyl)-5H-isoquinolin-8-one;1-[3-fluoro-4-[7-(2-hydroxy-2-methylpropoxy)quinolin-4-yl]oxyanilino]-7-(3-methylphenyl)-5H-isoquinolin-8-one;1-[3-fluoro-4-[7-(2-hydroxy-2-methylpropoxy)quinolin-4-yl]oxyanilino]-7-phenyl-5H-isoquinolin-8-one?
1-[3-fluoro-4-[6-(2-hydroxy-2-methylpropoxy)-7-methylquinolin-4-yl]oxyanilino]-7-(4-methylphenyl)-5H-isoquinolin-8-one;1-[3-fluoro-4-[7-(2-hydroxy-2-methylpropoxy)quinolin-4-yl]oxyanilino]-7-(2-fluorophenyl)-5H-isoquinolin-8-one;1-[3-fluoro-4-[7-(2-hydroxy-2-methylpropoxy)quinolin-4-yl]oxyanilino]-7-(3-methylphenyl)-5H-isoquinolin-8-one;1-[3-fluoro-4-[7-(2-hydroxy-2-methylpropoxy)quinolin-4-yl]oxyanilino]-7-phenyl-5H-isoquinolin-8-one has a molecular weight of 2306.52 g/mol, XLogP of 30.17, 32 rotatable bonds, 8 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-fluoro-4-[6-(2-hydroxy-2-methylpropoxy)-7-methylquinolin-4-yl]oxyanilino]-7-(4-methylphenyl)-5H-isoquinolin-8-one;1-[3-fluoro-4-[7-(2-hydroxy-2-methylpropoxy)quinolin-4-yl]oxyanilino]-7-(2-fluorophenyl)-5H-isoquinolin-8-one;1-[3-fluoro-4-[7-(2-hydroxy-2-methylpropoxy)quinolin-4-yl]oxyanilino]-7-(3-methylphenyl)-5H-isoquinolin-8-one;1-[3-fluoro-4-[7-(2-hydroxy-2-methylpropoxy)quinolin-4-yl]oxyanilino]-7-phenyl-5H-isoquinolin-8-one is sourced from PubChem (CID 160897621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).