6-(1-butylpiperidin-4-yl)oxy-5-fluoro-4-methyl-2H-isoquinolin-1-one;6-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]oxy-7-methoxy-2H-isoquinolin-1-one;6-[1-(cyclohexylmethyl)piperidin-4-yl]oxy-5-fluoro-4-methyl-2H-isoquinolin-1-one;6-(1-cyclohexylpiperidin-4-yl)oxy-5-fluoro-4-methyl-2H-isoquinolin-1-one;6-[1-(3,3-difluorobutyl)piperidin-4-yl]oxy-5-fluoro-4-methyl-2H-isoquinolin-1-one;6-(1-ethylpiperidin-4-yl)oxy-5-fluoro-4-methyl-2H-isoquinolin-1-one;5-fluoro-4-methyl-6-[1-(3-methylbutyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one;5-fluoro-4-methyl-6-[1-[(4-methylphenyl)methyl]piperidin-4-yl]oxy-2H-isoquinolin-1-one;5-fluoro-4-methyl-6-[1-(2-methylpropyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one

C182H225ClF10N18O19 — CID 159905707

IUPAC6-(1-butylpiperidin-4-yl)oxy-5-fluoro-4-methyl-2H-isoquinolin-1-one;6-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]oxy-7-methoxy-2H-isoquinolin-1-one;6-[1-(cyclohexylmethyl)piperidin-4-yl]oxy-5-fluoro-4-methyl-2H-isoquinolin-1-one;6-(1-cyclohexylpiperidin-4-yl)oxy-5-fluoro-4-methyl-2H-isoquinolin-1-one;6-[1-(3,3-difluorobutyl)piperidin-4-yl]oxy-5-fluoro-4-methyl-2H-isoquinolin-1-one;6-(1-ethylpiperidin-4-yl)oxy-5-fluoro-4-methyl-2H-isoquinolin-1-one;5-fluoro-4-methyl-6-[1-(3-methylbutyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one;5-fluoro-4-methyl-6-[1-[(4-methylphenyl)methyl]piperidin-4-yl]oxy-2H-isoquinolin-1-one;5-fluoro-4-methyl-6-[1-(2-methylpropyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one
SMILESCCCCN1CCC(Oc2ccc3c(=O)[nH]cc(C)c3c2F)CC1.CCN1CCC(Oc2ccc3c(=O)[nH]cc(C)c3c2F)CC1.COc1cc2c(=O)[nH]ccc2cc1OC1CCN(Cc2cccc(Cl)c2)CC1.Cc1c[nH]c(=O)c2ccc(OC3CCN(C4CCCCC4)CC3)c(F)c12.Cc1c[nH]c(=O)c2ccc(OC3CCN(CC(C)C)CC3)c(F)c12.Cc1c[nH]c(=O)c2ccc(OC3CCN(CC4CCCCC4)CC3)c(F)c12.Cc1c[nH]c(=O)c2ccc(OC3CCN(CCC(C)(F)F)CC3)c(F)c12.Cc1c[nH]c(=O)c2ccc(OC3CCN(CCC(C)C)CC3)c(F)c12.Cc1ccc(CN2CCC(Oc3ccc4c(=O)[nH]cc(C)c4c3F)CC2)cc1
InChIInChI=1S/C23H25FN2O2.C22H23ClN2O3.C22H29FN2O2.C21H27FN2O2.C20H27FN2O2.C19H23F3N2O2.2C19H25FN2O2.C17H21FN2O2/c1-15-3-5-17(6-4-15)14-26-11-9-18(10-12-26)28-20-8-7-19-21(22(20)24)16(2)13-25-23(19)27;1-27-20-13-19-16(5-8-24-22(19)26)12-21(20)28-18-6-9-25(10-7-18)14-15-3-2-4-17(23)11-15;1-15-13-24-22(26)18-7-8-19(21(23)20(15)18)27-17-9-11-25(12-10-17)14-16-5-3-2-4-6-16;1-14-13-23-21(25)17-7-8-18(20(22)19(14)17)26-16-9-11-24(12-10-16)15-5-3-2-4-6-15;1-13(2)6-9-23-10-7-15(8-11-23)25-17-5-4-16-18(19(17)21)14(3)12-22-20(16)24;1-12-11-23-18(25)14-3-4-15(17(20)16(12)14)26-13-5-8-24(9-6-13)10-7-19(2,21)22;1-12(2)11-22-8-6-14(7-9-22)24-16-5-4-15-17(18(16)20)13(3)10-21-19(15)23;1-3-4-9-22-10-7-14(8-11-22)24-16-6-5-15-17(18(16)20)13(2)12-21-19(15)23;1-3-20-8-6-12(7-9-20)22-14-5-4-13-15(16(14)18)11(2)10-19-17(13)21/h3-8,13,18H,9-12,14H2,1-2H3,(H,25,27);2-5,8,11-13,18H,6-7,9-10,14H2,1H3,(H,24,26);7-8,13,16-17H,2-6,9-12,14H2,1H3,(H,24,26);7-8,13,15-16H,2-6,9-12H2,1H3,(H,23,25);4-5,12-13,15H,6-11H2,1-3H3,(H,22,24);3-4,11,13H,5-10H2,1-2H3,(H,23,25);4-5,10,12,14H,6-9,11H2,1-3H3,(H,21,23);5-6,12,14H,3-4,7-11H2,1-2H3,(H,21,23);4-5,10,12H,3,6-9H2,1-2H3,(H,19,21)
InChIKeyNWNSIPDMGZNIOV-UHFFFAOYSA-N
MW3194.34 g/mol
LogP34.77
Rot. Bonds38

About 6-(1-butylpiperidin-4-yl)oxy-5-fluoro-4-methyl-2H-isoquinolin-1-one;6-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]oxy-7-methoxy-2H-isoquinolin-1-one;6-[1-(cyclohexylmethyl)piperidin-4-yl]oxy-5-fluoro-4-methyl-2H-isoquinolin-1-one;6-(1-cyclohexylpiperidin-4-yl)oxy-5-fluoro-4-methyl-2H-isoquinolin-1-one;6-[1-(3,3-difluorobutyl)piperidin-4-yl]oxy-5-fluoro-4-methyl-2H-isoquinolin-1-one;6-(1-ethylpiperidin-4-yl)oxy-5-fluoro-4-methyl-2H-isoquinolin-1-one;5-fluoro-4-methyl-6-[1-(3-methylbutyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one;5-fluoro-4-methyl-6-[1-[(4-methylphenyl)methyl]piperidin-4-yl]oxy-2H-isoquinolin-1-one;5-fluoro-4-methyl-6-[1-(2-methylpropyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one

6-(1-butylpiperidin-4-yl)oxy-5-fluoro-4-methyl-2H-isoquinolin-1-one;6-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]oxy-7-methoxy-2H-isoquinolin-1-one;6-[1-(cyclohexylmethyl)piperidin-4-yl]oxy-5-fluoro-4-methyl-2H-isoquinolin-1-one;6-(1-cyclohexylpiperidin-4-yl)oxy-5-fluoro-4-methyl-2H-isoquinolin-1-one;6-[1-(3,3-difluorobutyl)piperidin-4-yl]oxy-5-fluoro-4-methyl-2H-isoquinolin-1-one;6-(1-ethylpiperidin-4-yl)oxy-5-fluoro-4-methyl-2H-isoquinolin-1-one;5-fluoro-4-methyl-6-[1-(3-methylbutyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one;5-fluoro-4-methyl-6-[1-[(4-methylphenyl)methyl]piperidin-4-yl]oxy-2H-isoquinolin-1-one;5-fluoro-4-methyl-6-[1-(2-methylpropyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one (PubChem CID 159905707) has the molecular formula C182H225ClF10N18O19 and a molecular weight of 3194.34 g/mol. Its IUPAC name is 6-(1-butylpiperidin-4-yl)oxy-5-fluoro-4-methyl-2H-isoquinolin-1-one;6-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]oxy-7-methoxy-2H-isoquinolin-1-one;6-[1-(cyclohexylmethyl)piperidin-4-yl]oxy-5-fluoro-4-methyl-2H-isoquinolin-1-one;6-(1-cyclohexylpiperidin-4-yl)oxy-5-fluoro-4-methyl-2H-isoquinolin-1-one;6-[1-(3,3-difluorobutyl)piperidin-4-yl]oxy-5-fluoro-4-methyl-2H-isoquinolin-1-one;6-(1-ethylpiperidin-4-yl)oxy-5-fluoro-4-methyl-2H-isoquinolin-1-one;5-fluoro-4-methyl-6-[1-(3-methylbutyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one;5-fluoro-4-methyl-6-[1-[(4-methylphenyl)methyl]piperidin-4-yl]oxy-2H-isoquinolin-1-one;5-fluoro-4-methyl-6-[1-(2-methylpropyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one.

Molecular Properties

Compound Name6-(1-butylpiperidin-4-yl)oxy-5-fluoro-4-methyl-2H-isoquinolin-1-one;6-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]oxy-7-methoxy-2H-isoquinolin-1-one;6-[1-(cyclohexylmethyl)piperidin-4-yl]oxy-5-fluoro-4-methyl-2H-isoquinolin-1-one;6-(1-cyclohexylpiperidin-4-yl)oxy-5-fluoro-4-methyl-2H-isoquinolin-1-one;6-[1-(3,3-difluorobutyl)piperidin-4-yl]oxy-5-fluoro-4-methyl-2H-isoquinolin-1-one;6-(1-ethylpiperidin-4-yl)oxy-5-fluoro-4-methyl-2H-isoquinolin-1-one;5-fluoro-4-methyl-6-[1-(3-methylbutyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one;5-fluoro-4-methyl-6-[1-[(4-methylphenyl)methyl]piperidin-4-yl]oxy-2H-isoquinolin-1-one;5-fluoro-4-methyl-6-[1-(2-methylpropyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one
PubChem CID159905707
Molecular FormulaC182H225ClF10N18O19
Molecular Weight3194.34 g/mol
Exact Mass3191.67
IUPAC Name6-(1-butylpiperidin-4-yl)oxy-5-fluoro-4-methyl-2H-isoquinolin-1-one;6-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]oxy-7-methoxy-2H-isoquinolin-1-one;6-[1-(cyclohexylmethyl)piperidin-4-yl]oxy-5-fluoro-4-methyl-2H-isoquinolin-1-one;6-(1-cyclohexylpiperidin-4-yl)oxy-5-fluoro-4-methyl-2H-isoquinolin-1-one;6-[1-(3,3-difluorobutyl)piperidin-4-yl]oxy-5-fluoro-4-methyl-2H-isoquinolin-1-one;6-(1-ethylpiperidin-4-yl)oxy-5-fluoro-4-methyl-2H-isoquinolin-1-one;5-fluoro-4-methyl-6-[1-(3-methylbutyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one;5-fluoro-4-methyl-6-[1-[(4-methylphenyl)methyl]piperidin-4-yl]oxy-2H-isoquinolin-1-one;5-fluoro-4-methyl-6-[1-(2-methylpropyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one
SMILESCCCCN1CCC(Oc2ccc3c(=O)[nH]cc(C)c3c2F)CC1.CCN1CCC(Oc2ccc3c(=O)[nH]cc(C)c3c2F)CC1.COc1cc2c(=O)[nH]ccc2cc1OC1CCN(Cc2cccc(Cl)c2)CC1.Cc1c[nH]c(=O)c2ccc(OC3CCN(C4CCCCC4)CC3)c(F)c12.Cc1c[nH]c(=O)c2ccc(OC3CCN(CC(C)C)CC3)c(F)c12.Cc1c[nH]c(=O)c2ccc(OC3CCN(CC4CCCCC4)CC3)c(F)c12.Cc1c[nH]c(=O)c2ccc(OC3CCN(CCC(C)(F)F)CC3)c(F)c12.Cc1c[nH]c(=O)c2ccc(OC3CCN(CCC(C)C)CC3)c(F)c12.Cc1ccc(CN2CCC(Oc3ccc4c(=O)[nH]cc(C)c4c3F)CC2)cc1
InChIInChI=1S/C23H25FN2O2.C22H23ClN2O3.C22H29FN2O2.C21H27FN2O2.C20H27FN2O2.C19H23F3N2O2.2C19H25FN2O2.C17H21FN2O2/c1-15-3-5-17(6-4-15)14-26-11-9-18(10-12-26)28-20-8-7-19-21(22(20)24)16(2)13-25-23(19)27;1-27-20-13-19-16(5-8-24-22(19)26)12-21(20)28-18-6-9-25(10-7-18)14-15-3-2-4-17(23)11-15;1-15-13-24-22(26)18-7-8-19(21(23)20(15)18)27-17-9-11-25(12-10-17)14-16-5-3-2-4-6-16;1-14-13-23-21(25)17-7-8-18(20(22)19(14)17)26-16-9-11-24(12-10-16)15-5-3-2-4-6-15;1-13(2)6-9-23-10-7-15(8-11-23)25-17-5-4-16-18(19(17)21)14(3)12-22-20(16)24;1-12-11-23-18(25)14-3-4-15(17(20)16(12)14)26-13-5-8-24(9-6-13)10-7-19(2,21)22;1-12(2)11-22-8-6-14(7-9-22)24-16-5-4-15-17(18(16)20)13(3)10-21-19(15)23;1-3-4-9-22-10-7-14(8-11-22)24-16-6-5-15-17(18(16)20)13(2)12-21-19(15)23;1-3-20-8-6-12(7-9-20)22-14-5-4-13-15(16(14)18)11(2)10-19-17(13)21/h3-8,13,18H,9-12,14H2,1-2H3,(H,25,27);2-5,8,11-13,18H,6-7,9-10,14H2,1H3,(H,24,26);7-8,13,16-17H,2-6,9-12,14H2,1H3,(H,24,26);7-8,13,15-16H,2-6,9-12H2,1H3,(H,23,25);4-5,12-13,15H,6-11H2,1-3H3,(H,22,24);3-4,11,13H,5-10H2,1-2H3,(H,23,25);4-5,10,12,14H,6-9,11H2,1-3H3,(H,21,23);5-6,12,14H,3-4,7-11H2,1-2H3,(H,21,23);4-5,10,12H,3,6-9H2,1-2H3,(H,19,21)
InChIKeyNWNSIPDMGZNIOV-UHFFFAOYSA-N
XLogP34.77
TPSA417.20 Ų
H-Bond Donors9
H-Bond Acceptors28
Rotatable Bonds38
Heavy Atoms230
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003194.34
LogP ≤ 534.77
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1028

Analyze 6-(1-butylpiperidin-4-yl)oxy-5-fluoro-4-methyl-2H-isoquinolin-1-one;6-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]oxy-7-methoxy-2H-isoquinolin-1-one;6-[1-(cyclohexylmethyl)piperidin-4-yl]oxy-5-fluoro-4-methyl-2H-isoquinolin-1-one;6-(1-cyclohexylpiperidin-4-yl)oxy-5-fluoro-4-methyl-2H-isoquinolin-1-one;6-[1-(3,3-difluorobutyl)piperidin-4-yl]oxy-5-fluoro-4-methyl-2H-isoquinolin-1-one;6-(1-ethylpiperidin-4-yl)oxy-5-fluoro-4-methyl-2H-isoquinolin-1-one;5-fluoro-4-methyl-6-[1-(3-methylbutyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one;5-fluoro-4-methyl-6-[1-[(4-methylphenyl)methyl]piperidin-4-yl]oxy-2H-isoquinolin-1-one;5-fluoro-4-methyl-6-[1-(2-methylpropyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one with MolForge

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Launch Full Analysis

Related Compounds

7-chloro-6-cyclohexyloxy-2H-isoquinolin-1-one;6-(cyclohexylmethoxy)-2H-isoquinolin-1-one;6-cyclohexyloxy-4,7-dimethyl-2H-isoquinolin-1-one;bis(6-cyclohexyloxy-2H-isoquinolin-1-one);7-methyl-6-(1-methylpiperidin-4-yl)oxy-2H-isoquinolin-1-one;4-methyl-6-(1-methylpiperidin-4-yl)oxy-7-(trifluoromethyl)-2H-isoquinolin-1-one;7-methyl-6-piperidin-3-yloxy-2H-isoquinolin-1-one
CID 157078170
6-(1-butylpiperidin-4-yl)oxy-4,7-dimethyl-2H-isoquinolin-1-one;6-(1-butylpiperidin-4-yl)oxy-7-fluoro-2H-isoquinolin-1-one;6-[1-(cyclopropylmethyl)piperidin-4-yl]oxy-4,7-dimethyl-2H-isoquinolin-1-one;6-[1-(3,3-difluorobutyl)piperidin-4-yl]oxy-4,7-dimethyl-2H-isoquinolin-1-one;4,7-dimethyl-6-[1-(3-methylbutyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one;4,7-dimethyl-6-[1-(2-methylpropyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one;4,7-dimethyl-6-(1-propylpiperidin-4-yl)oxy-2H-isoquinolin-1-one;6-(1-ethylpiperidin-4-yl)oxy-4,7-dimethyl-2H-isoquinolin-1-one;7-fluoro-6-[1-(2-methylpropyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one;7-fluoro-6-(1-propan-2-ylpiperidin-4-yl)oxy-2H-isoquinolin-1-one
CID 158080012
7-bromo-6-cyclohexyloxy-2H-isoquinolin-1-one;7-chloro-6-piperidin-4-yloxy-2H-naphthalen-1-one;7-chloro-6-(1-propan-2-ylpiperidin-4-yl)oxy-2H-naphthalen-1-one;6-cyclohexyloxy-7-fluoro-2H-isoquinolin-1-one;6-cyclohexyloxy-5-fluoro-4-methyl-2H-isoquinolin-1-one;6-cyclohexyloxy-7-fluoro-4-methyl-2H-isoquinolin-1-one;6-cyclohexyloxy-7-methoxy-2H-isoquinolin-1-one;6-cyclohexyloxy-4-methyl-2H-isoquinolin-1-one;6-cyclohexyloxy-7-methyl-2H-isoquinolin-1-one;6-cyclohexyloxy-7-(trifluoromethyl)-2H-isoquinolin-1-one;6-piperidin-4-yloxy-2H-naphthalen-1-one
CID 158212492
6-[1-(cyclohexylmethyl)piperidin-4-yl]oxy-4-ethyl-7-fluoro-2H-isoquinolin-1-one;6-(1-cyclohexylpiperidin-4-yl)oxy-4-ethyl-7-fluoro-2H-isoquinolin-1-one;6-[1-(cyclopropylmethyl)piperidin-4-yl]oxy-4-ethyl-7-fluoro-2H-isoquinolin-1-one;6-[1-(3,3-difluorobutyl)piperidin-4-yl]oxy-4-ethyl-7-fluoro-2H-isoquinolin-1-one;4-ethyl-6-(1-ethylpiperidin-4-yl)oxy-7-fluoro-2H-isoquinolin-1-one;4-ethyl-7-fluoro-6-[1-(3-methylbutyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one;4-ethyl-7-fluoro-6-[1-(2-methylpropyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one;4-ethyl-7-fluoro-6-(1-propan-2-ylpiperidin-4-yl)oxy-2H-isoquinolin-1-one;4-ethyl-7-fluoro-6-(1-propylpiperidin-4-yl)oxy-2H-isoquinolin-1-one;methane
CID 158648121
6-(1-butylpiperidin-4-yl)oxy-7-methyl-2H-isoquinolin-1-one;7-chloro-6-[1-[(3-methylphenyl)methyl]piperidin-4-yl]oxy-2H-isoquinolin-1-one;6-[1-(2-cyclohexylethyl)piperidin-4-yl]oxy-7-methyl-2H-isoquinolin-1-one;6-[1-(cyclohexylmethyl)piperidin-4-yl]oxy-7-methyl-2H-isoquinolin-1-one;6-[1-(cyclopropylmethyl)piperidin-4-yl]oxy-7-methyl-2H-isoquinolin-1-one;6-[1-(3,3-difluorobutyl)piperidin-4-yl]oxy-7-methyl-2H-isoquinolin-1-one;6-(1-ethylpiperidin-4-yl)oxy-7-methyl-2H-isoquinolin-1-one;7-methyl-6-[1-(2-methylpropyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one;7-methyl-6-(1-propan-2-ylpiperidin-4-yl)oxy-2H-isoquinolin-1-one;7-methyl-6-(1-propylpiperidin-4-yl)oxy-2H-isoquinolin-1-one
CID 159789741
bis(6-(1-benzylpiperidin-4-yl)oxy-4-methyl-2H-isoquinolin-1-one);6-[1-[(2-chloro-4-methylphenyl)methyl]piperidin-4-yl]oxy-4-methyl-2H-isoquinolin-1-one;6-[1-[(3-chloro-5-methylphenyl)methyl]piperidin-4-yl]oxy-4-methyl-2H-isoquinolin-1-one;6-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]oxy-4-methyl-2H-isoquinolin-1-one;6-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]oxy-4-methyl-2H-isoquinolin-1-one;6-[1-[[4-(1,1-difluoroethyl)phenyl]methyl]piperidin-4-yl]oxy-4-methyl-2H-isoquinolin-1-one;bis(4-methyl-6-[1-[(4-methylphenyl)methyl]piperidin-4-yl]oxy-2H-isoquinolin-1-one)
CID 160391419
6-(1-butylpiperidin-4-yl)oxy-4-methyl-2H-isoquinolin-1-one;6-(1-cyclohexylpiperidin-4-yl)oxy-4-methyl-2H-isoquinolin-1-one;6-[1-(cyclopropylmethyl)piperidin-4-yl]oxy-4-methyl-2H-isoquinolin-1-one;6-[1-(3,3-difluorobutyl)piperidin-4-yl]oxy-4-methyl-2H-isoquinolin-1-one;4-methyl-6-[1-(3-methylbutyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one;4-methyl-6-[1-(2-methylpropyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one;4-methyl-6-(1-propan-2-ylpiperidin-4-yl)oxy-2H-isoquinolin-1-one;4-methyl-6-(1-propylpiperidin-4-yl)oxy-2H-isoquinolin-1-one
CID 160540996
6-(1-benzylpiperidin-4-yl)oxy-7-chloro-2H-isoquinolin-1-one;6-(1-butylpiperidin-4-yl)oxy-7-chloro-2H-isoquinolin-1-one;7-chloro-6-[1-[(2-chloro-4-methylphenyl)methyl]piperidin-4-yl]oxy-2H-isoquinolin-1-one;7-chloro-6-[1-[(3-chloro-5-methylphenyl)methyl]piperidin-4-yl]oxy-2H-isoquinolin-1-one;7-chloro-6-[1-(cyclohexylmethyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one;7-chloro-6-(1-cyclohexylpiperidin-4-yl)oxy-2H-isoquinolin-1-one;7-chloro-6-[1-(cyclopropylmethyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one;7-chloro-6-[1-(3,3-difluorobutyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one;7-chloro-6-[1-(3-methylbutyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one;7-chloro-6-[1-[(4-methylphenyl)methyl]piperidin-4-yl]oxy-2H-isoquinolin-1-one;7-chloro-6-[1-(2-methylpropyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one
CID 160662540
7-chloro-6-[(3R)-piperidin-3-yl]oxy-2H-isoquinolin-1-one;6-(1-cyclopropylpiperidin-4-yl)oxy-2H-isoquinolin-1-one;4,7-dimethyl-6-[(3R)-piperidin-3-yl]oxy-2H-isoquinolin-1-one;7-methyl-6-(1-methylpiperidin-4-yl)oxy-2H-isoquinolin-1-one;4-methyl-6-(1-methylpiperidin-4-yl)oxy-7-(trifluoromethyl)-2H-isoquinolin-1-one;7-methyl-6-piperidin-3-yloxy-2H-isoquinolin-1-one;6-piperidin-3-yloxy-2H-isoquinolin-1-one;6-[(3R)-piperidin-3-yl]oxy-2H-isoquinolin-1-one
CID 161734235
6-(1-butylpiperidin-4-yl)oxy-4-ethyl-2H-isoquinolin-1-one;6-[1-(cyclohexylmethyl)piperidin-4-yl]oxy-4-ethyl-2H-isoquinolin-1-one;6-(1-cyclohexylpiperidin-4-yl)oxy-4-ethyl-2H-isoquinolin-1-one;6-[1-(cyclopropylmethyl)piperidin-4-yl]oxy-4-ethyl-2H-isoquinolin-1-one;6-[1-(3,3-difluorobutyl)piperidin-4-yl]oxy-4-ethyl-2H-isoquinolin-1-one;4-ethyl-6-[1-(3-methylbutyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one;4-ethyl-6-[1-(2-methylpropyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one;4-ethyl-6-(1-propylpiperidin-4-yl)oxy-2H-isoquinolin-1-one
CID 162145122
6-[(1-butylpiperidin-4-yl)methoxy]-2H-isoquinolin-1-one;6-[[1-(cyclohexylmethyl)piperidin-4-yl]methoxy]-2H-isoquinolin-1-one;6-[[1-(cyclopropylmethyl)piperidin-4-yl]methoxy]-2H-isoquinolin-1-one;6-[[1-(3-methylbutyl)piperidin-4-yl]methoxy]-2H-isoquinolin-1-one;6-[[1-(2-methylpropyl)piperidin-4-yl]methoxy]-2H-isoquinolin-1-one;6-[(1-propan-2-ylpiperidin-4-yl)methoxy]-2H-isoquinolin-1-one;bis(6-[(1-propylpiperidin-4-yl)methoxy]-2H-isoquinolin-1-one)
CID 157327783
6-(1-cyclopropylpiperidin-4-yl)oxy-2H-isoquinolin-1-one;4,7-dimethyl-6-(1-methylpiperidin-4-yl)oxy-2H-isoquinolin-1-one;4-ethyl-5-fluoro-6-(1-methylpiperidin-4-yl)oxy-2H-isoquinolin-1-one;4-ethyl-6-(1-methylpiperidin-4-yl)oxy-2H-isoquinolin-1-one;5-fluoro-4-methyl-6-(1-methylpiperidin-4-yl)oxy-2H-isoquinolin-1-one;7-methoxy-6-(1-methylpiperidin-4-yl)oxy-2H-isoquinolin-1-one;6-(1-methylpiperidin-4-yl)oxy-2H-isoquinolin-1-one
CID 157330074

Frequently Asked Questions

What is the IUPAC name of 6-(1-butylpiperidin-4-yl)oxy-5-fluoro-4-methyl-2H-isoquinolin-1-one;6-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]oxy-7-methoxy-2H-isoquinolin-1-one;6-[1-(cyclohexylmethyl)piperidin-4-yl]oxy-5-fluoro-4-methyl-2H-isoquinolin-1-one;6-(1-cyclohexylpiperidin-4-yl)oxy-5-fluoro-4-methyl-2H-isoquinolin-1-one;6-[1-(3,3-difluorobutyl)piperidin-4-yl]oxy-5-fluoro-4-methyl-2H-isoquinolin-1-one;6-(1-ethylpiperidin-4-yl)oxy-5-fluoro-4-methyl-2H-isoquinolin-1-one;5-fluoro-4-methyl-6-[1-(3-methylbutyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one;5-fluoro-4-methyl-6-[1-[(4-methylphenyl)methyl]piperidin-4-yl]oxy-2H-isoquinolin-1-one;5-fluoro-4-methyl-6-[1-(2-methylpropyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one?
The IUPAC name of 6-(1-butylpiperidin-4-yl)oxy-5-fluoro-4-methyl-2H-isoquinolin-1-one;6-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]oxy-7-methoxy-2H-isoquinolin-1-one;6-[1-(cyclohexylmethyl)piperidin-4-yl]oxy-5-fluoro-4-methyl-2H-isoquinolin-1-one;6-(1-cyclohexylpiperidin-4-yl)oxy-5-fluoro-4-methyl-2H-isoquinolin-1-one;6-[1-(3,3-difluorobutyl)piperidin-4-yl]oxy-5-fluoro-4-methyl-2H-isoquinolin-1-one;6-(1-ethylpiperidin-4-yl)oxy-5-fluoro-4-methyl-2H-isoquinolin-1-one;5-fluoro-4-methyl-6-[1-(3-methylbutyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one;5-fluoro-4-methyl-6-[1-[(4-methylphenyl)methyl]piperidin-4-yl]oxy-2H-isoquinolin-1-one;5-fluoro-4-methyl-6-[1-(2-methylpropyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one (CID 159905707) is 6-(1-butylpiperidin-4-yl)oxy-5-fluoro-4-methyl-2H-isoquinolin-1-one;6-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]oxy-7-methoxy-2H-isoquinolin-1-one;6-[1-(cyclohexylmethyl)piperidin-4-yl]oxy-5-fluoro-4-methyl-2H-isoquinolin-1-one;6-(1-cyclohexylpiperidin-4-yl)oxy-5-fluoro-4-methyl-2H-isoquinolin-1-one;6-[1-(3,3-difluorobutyl)piperidin-4-yl]oxy-5-fluoro-4-methyl-2H-isoquinolin-1-one;6-(1-ethylpiperidin-4-yl)oxy-5-fluoro-4-methyl-2H-isoquinolin-1-one;5-fluoro-4-methyl-6-[1-(3-methylbutyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one;5-fluoro-4-methyl-6-[1-[(4-methylphenyl)methyl]piperidin-4-yl]oxy-2H-isoquinolin-1-one;5-fluoro-4-methyl-6-[1-(2-methylpropyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one.
What is the SMILES notation for 6-(1-butylpiperidin-4-yl)oxy-5-fluoro-4-methyl-2H-isoquinolin-1-one;6-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]oxy-7-methoxy-2H-isoquinolin-1-one;6-[1-(cyclohexylmethyl)piperidin-4-yl]oxy-5-fluoro-4-methyl-2H-isoquinolin-1-one;6-(1-cyclohexylpiperidin-4-yl)oxy-5-fluoro-4-methyl-2H-isoquinolin-1-one;6-[1-(3,3-difluorobutyl)piperidin-4-yl]oxy-5-fluoro-4-methyl-2H-isoquinolin-1-one;6-(1-ethylpiperidin-4-yl)oxy-5-fluoro-4-methyl-2H-isoquinolin-1-one;5-fluoro-4-methyl-6-[1-(3-methylbutyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one;5-fluoro-4-methyl-6-[1-[(4-methylphenyl)methyl]piperidin-4-yl]oxy-2H-isoquinolin-1-one;5-fluoro-4-methyl-6-[1-(2-methylpropyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one?
The canonical SMILES for 6-(1-butylpiperidin-4-yl)oxy-5-fluoro-4-methyl-2H-isoquinolin-1-one;6-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]oxy-7-methoxy-2H-isoquinolin-1-one;6-[1-(cyclohexylmethyl)piperidin-4-yl]oxy-5-fluoro-4-methyl-2H-isoquinolin-1-one;6-(1-cyclohexylpiperidin-4-yl)oxy-5-fluoro-4-methyl-2H-isoquinolin-1-one;6-[1-(3,3-difluorobutyl)piperidin-4-yl]oxy-5-fluoro-4-methyl-2H-isoquinolin-1-one;6-(1-ethylpiperidin-4-yl)oxy-5-fluoro-4-methyl-2H-isoquinolin-1-one;5-fluoro-4-methyl-6-[1-(3-methylbutyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one;5-fluoro-4-methyl-6-[1-[(4-methylphenyl)methyl]piperidin-4-yl]oxy-2H-isoquinolin-1-one;5-fluoro-4-methyl-6-[1-(2-methylpropyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one is CCCCN1CCC(Oc2ccc3c(=O)[nH]cc(C)c3c2F)CC1.CCN1CCC(Oc2ccc3c(=O)[nH]cc(C)c3c2F)CC1.COc1cc2c(=O)[nH]ccc2cc1OC1CCN(Cc2cccc(Cl)c2)CC1.Cc1c[nH]c(=O)c2ccc(OC3CCN(C4CCCCC4)CC3)c(F)c12.Cc1c[nH]c(=O)c2ccc(OC3CCN(CC(C)C)CC3)c(F)c12.Cc1c[nH]c(=O)c2ccc(OC3CCN(CC4CCCCC4)CC3)c(F)c12.Cc1c[nH]c(=O)c2ccc(OC3CCN(CCC(C)(F)F)CC3)c(F)c12.Cc1c[nH]c(=O)c2ccc(OC3CCN(CCC(C)C)CC3)c(F)c12.Cc1ccc(CN2CCC(Oc3ccc4c(=O)[nH]cc(C)c4c3F)CC2)cc1.
What is the InChIKey of 6-(1-butylpiperidin-4-yl)oxy-5-fluoro-4-methyl-2H-isoquinolin-1-one;6-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]oxy-7-methoxy-2H-isoquinolin-1-one;6-[1-(cyclohexylmethyl)piperidin-4-yl]oxy-5-fluoro-4-methyl-2H-isoquinolin-1-one;6-(1-cyclohexylpiperidin-4-yl)oxy-5-fluoro-4-methyl-2H-isoquinolin-1-one;6-[1-(3,3-difluorobutyl)piperidin-4-yl]oxy-5-fluoro-4-methyl-2H-isoquinolin-1-one;6-(1-ethylpiperidin-4-yl)oxy-5-fluoro-4-methyl-2H-isoquinolin-1-one;5-fluoro-4-methyl-6-[1-(3-methylbutyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one;5-fluoro-4-methyl-6-[1-[(4-methylphenyl)methyl]piperidin-4-yl]oxy-2H-isoquinolin-1-one;5-fluoro-4-methyl-6-[1-(2-methylpropyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one?
The InChIKey is NWNSIPDMGZNIOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN2O2.C22H23ClN2O3.C22H29FN2O2.C21H27FN2O2.C20H27FN2O2.C19H23F3N2O2.2C19H25FN2O2.C17H21FN2O2/c1-15-3-5-17(6-4-15)14-26-11-9-18(10-12-26)28-20-8-7-19-21(22(20)24)16(2)13-25-23(19)27;1-27-20-13-19-16(5-8-24-22(19)26)12-21(20)28-18-6-9-25(10-7-18)14-15-3-2-4-17(23)11-15;1-15-13-24-22(26)18-7-8-19(21(23)20(15)18)27-17-9-11-25(12-10-17)14-16-5-3-2-4-6-16;1-14-13-23-21(25)17-7-8-18(20(22)19(14)17)26-16-9-11-24(12-10-16)15-5-3-2-4-6-15;1-13(2)6-9-23-10-7-15(8-11-23)25-17-5-4-16-18(19(17)21)14(3)12-22-20(16)24;1-12-11-23-18(25)14-3-4-15(17(20)16(12)14)26-13-5-8-24(9-6-13)10-7-19(2,21)22;1-12(2)11-22-8-6-14(7-9-22)24-16-5-4-15-17(18(16)20)13(3)10-21-19(15)23;1-3-4-9-22-10-7-14(8-11-22)24-16-6-5-15-17(18(16)20)13(2)12-21-19(15)23;1-3-20-8-6-12(7-9-20)22-14-5-4-13-15(16(14)18)11(2)10-19-17(13)21/h3-8,13,18H,9-12,14H2,1-2H3,(H,25,27);2-5,8,11-13,18H,6-7,9-10,14H2,1H3,(H,24,26);7-8,13,16-17H,2-6,9-12,14H2,1H3,(H,24,26);7-8,13,15-16H,2-6,9-12H2,1H3,(H,23,25);4-5,12-13,15H,6-11H2,1-3H3,(H,22,24);3-4,11,13H,5-10H2,1-2H3,(H,23,25);4-5,10,12,14H,6-9,11H2,1-3H3,(H,21,23);5-6,12,14H,3-4,7-11H2,1-2H3,(H,21,23);4-5,10,12H,3,6-9H2,1-2H3,(H,19,21).
What are the key properties of 6-(1-butylpiperidin-4-yl)oxy-5-fluoro-4-methyl-2H-isoquinolin-1-one;6-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]oxy-7-methoxy-2H-isoquinolin-1-one;6-[1-(cyclohexylmethyl)piperidin-4-yl]oxy-5-fluoro-4-methyl-2H-isoquinolin-1-one;6-(1-cyclohexylpiperidin-4-yl)oxy-5-fluoro-4-methyl-2H-isoquinolin-1-one;6-[1-(3,3-difluorobutyl)piperidin-4-yl]oxy-5-fluoro-4-methyl-2H-isoquinolin-1-one;6-(1-ethylpiperidin-4-yl)oxy-5-fluoro-4-methyl-2H-isoquinolin-1-one;5-fluoro-4-methyl-6-[1-(3-methylbutyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one;5-fluoro-4-methyl-6-[1-[(4-methylphenyl)methyl]piperidin-4-yl]oxy-2H-isoquinolin-1-one;5-fluoro-4-methyl-6-[1-(2-methylpropyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one?
6-(1-butylpiperidin-4-yl)oxy-5-fluoro-4-methyl-2H-isoquinolin-1-one;6-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]oxy-7-methoxy-2H-isoquinolin-1-one;6-[1-(cyclohexylmethyl)piperidin-4-yl]oxy-5-fluoro-4-methyl-2H-isoquinolin-1-one;6-(1-cyclohexylpiperidin-4-yl)oxy-5-fluoro-4-methyl-2H-isoquinolin-1-one;6-[1-(3,3-difluorobutyl)piperidin-4-yl]oxy-5-fluoro-4-methyl-2H-isoquinolin-1-one;6-(1-ethylpiperidin-4-yl)oxy-5-fluoro-4-methyl-2H-isoquinolin-1-one;5-fluoro-4-methyl-6-[1-(3-methylbutyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one;5-fluoro-4-methyl-6-[1-[(4-methylphenyl)methyl]piperidin-4-yl]oxy-2H-isoquinolin-1-one;5-fluoro-4-methyl-6-[1-(2-methylpropyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one has a molecular weight of 3194.34 g/mol, XLogP of 34.77, 38 rotatable bonds, 9 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-butylpiperidin-4-yl)oxy-5-fluoro-4-methyl-2H-isoquinolin-1-one;6-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]oxy-7-methoxy-2H-isoquinolin-1-one;6-[1-(cyclohexylmethyl)piperidin-4-yl]oxy-5-fluoro-4-methyl-2H-isoquinolin-1-one;6-(1-cyclohexylpiperidin-4-yl)oxy-5-fluoro-4-methyl-2H-isoquinolin-1-one;6-[1-(3,3-difluorobutyl)piperidin-4-yl]oxy-5-fluoro-4-methyl-2H-isoquinolin-1-one;6-(1-ethylpiperidin-4-yl)oxy-5-fluoro-4-methyl-2H-isoquinolin-1-one;5-fluoro-4-methyl-6-[1-(3-methylbutyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one;5-fluoro-4-methyl-6-[1-[(4-methylphenyl)methyl]piperidin-4-yl]oxy-2H-isoquinolin-1-one;5-fluoro-4-methyl-6-[1-(2-methylpropyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one is sourced from PubChem (CID 159905707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).