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

C219H253Cl13F2N22O22 — CID 160662540

IUPAC6-(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
SMILESCC(C)CCN1CCC(Oc2cc3cc[nH]c(=O)c3cc2Cl)CC1.CC(C)CN1CCC(Oc2cc3cc[nH]c(=O)c3cc2Cl)CC1.CC(F)(F)CCN1CCC(Oc2cc3cc[nH]c(=O)c3cc2Cl)CC1.CCCCN1CCC(Oc2cc3cc[nH]c(=O)c3cc2Cl)CC1.Cc1cc(Cl)cc(CN2CCC(Oc3cc4cc[nH]c(=O)c4cc3Cl)CC2)c1.Cc1ccc(CN2CCC(Oc3cc4cc[nH]c(=O)c4cc3Cl)CC2)c(Cl)c1.Cc1ccc(CN2CCC(Oc3cc4cc[nH]c(=O)c4cc3Cl)CC2)cc1.O=c1[nH]ccc2cc(OC3CCN(C4CCCCC4)CC3)c(Cl)cc12.O=c1[nH]ccc2cc(OC3CCN(CC4CC4)CC3)c(Cl)cc12.O=c1[nH]ccc2cc(OC3CCN(CC4CCCCC4)CC3)c(Cl)cc12.O=c1[nH]ccc2cc(OC3CCN(Cc4ccccc4)CC3)c(Cl)cc12
InChIInChI=1S/2C22H22Cl2N2O2.C22H23ClN2O2.C21H27ClN2O2.C21H21ClN2O2.C20H25ClN2O2.C19H25ClN2O2.C18H21ClF2N2O2.C18H21ClN2O2.2C18H23ClN2O2/c1-14-8-15(10-17(23)9-14)13-26-6-3-18(4-7-26)28-21-11-16-2-5-25-22(27)19(16)12-20(21)24;1-14-2-3-16(19(23)10-14)13-26-8-5-17(6-9-26)28-21-11-15-4-7-25-22(27)18(15)12-20(21)24;1-15-2-4-16(5-3-15)14-25-10-7-18(8-11-25)27-21-12-17-6-9-24-22(26)19(17)13-20(21)23;2*22-19-13-18-16(6-9-23-21(18)25)12-20(19)26-17-7-10-24(11-8-17)14-15-4-2-1-3-5-15;21-18-13-17-14(6-9-22-20(17)24)12-19(18)25-16-7-10-23(11-8-16)15-4-2-1-3-5-15;1-13(2)4-8-22-9-5-15(6-10-22)24-18-11-14-3-7-21-19(23)16(14)12-17(18)20;1-18(20,21)5-9-23-7-3-13(4-8-23)25-16-10-12-2-6-22-17(24)14(12)11-15(16)19;19-16-10-15-13(3-6-20-18(15)22)9-17(16)23-14-4-7-21(8-5-14)11-12-1-2-12;1-12(2)11-21-7-4-14(5-8-21)23-17-9-13-3-6-20-18(22)15(13)10-16(17)19;1-2-3-8-21-9-5-14(6-10-21)23-17-11-13-4-7-20-18(22)15(13)12-16(17)19/h2,5,8-12,18H,3-4,6-7,13H2,1H3,(H,25,27);2-4,7,10-12,17H,5-6,8-9,13H2,1H3,(H,25,27);2-6,9,12-13,18H,7-8,10-11,14H2,1H3,(H,24,26);6,9,12-13,15,17H,1-5,7-8,10-11,14H2,(H,23,25);1-6,9,12-13,17H,7-8,10-11,14H2,(H,23,25);6,9,12-13,15-16H,1-5,7-8,10-11H2,(H,22,24);3,7,11-13,15H,4-6,8-10H2,1-2H3,(H,21,23);2,6,10-11,13H,3-5,7-9H2,1H3,(H,22,24);3,6,9-10,12,14H,1-2,4-5,7-8,11H2,(H,20,22);3,6,9-10,12,14H,4-5,7-8,11H2,1-2H3,(H,20,22);4,7,11-12,14H,2-3,5-6,8-10H2,1H3,(H,20,22)
InChIKeyRLWGKLPLIRGKSH-UHFFFAOYSA-N
MW4044.45 g/mol
LogP47.18
Rot. Bonds46

About 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

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 (PubChem CID 160662540) has the molecular formula C219H253Cl13F2N22O22 and a molecular weight of 4044.45 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-(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
PubChem CID160662540
Molecular FormulaC219H253Cl13F2N22O22
Molecular Weight4044.45 g/mol
Exact Mass4035.53
IUPAC Name6-(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
SMILESCC(C)CCN1CCC(Oc2cc3cc[nH]c(=O)c3cc2Cl)CC1.CC(C)CN1CCC(Oc2cc3cc[nH]c(=O)c3cc2Cl)CC1.CC(F)(F)CCN1CCC(Oc2cc3cc[nH]c(=O)c3cc2Cl)CC1.CCCCN1CCC(Oc2cc3cc[nH]c(=O)c3cc2Cl)CC1.Cc1cc(Cl)cc(CN2CCC(Oc3cc4cc[nH]c(=O)c4cc3Cl)CC2)c1.Cc1ccc(CN2CCC(Oc3cc4cc[nH]c(=O)c4cc3Cl)CC2)c(Cl)c1.Cc1ccc(CN2CCC(Oc3cc4cc[nH]c(=O)c4cc3Cl)CC2)cc1.O=c1[nH]ccc2cc(OC3CCN(C4CCCCC4)CC3)c(Cl)cc12.O=c1[nH]ccc2cc(OC3CCN(CC4CC4)CC3)c(Cl)cc12.O=c1[nH]ccc2cc(OC3CCN(CC4CCCCC4)CC3)c(Cl)cc12.O=c1[nH]ccc2cc(OC3CCN(Cc4ccccc4)CC3)c(Cl)cc12
InChIInChI=1S/2C22H22Cl2N2O2.C22H23ClN2O2.C21H27ClN2O2.C21H21ClN2O2.C20H25ClN2O2.C19H25ClN2O2.C18H21ClF2N2O2.C18H21ClN2O2.2C18H23ClN2O2/c1-14-8-15(10-17(23)9-14)13-26-6-3-18(4-7-26)28-21-11-16-2-5-25-22(27)19(16)12-20(21)24;1-14-2-3-16(19(23)10-14)13-26-8-5-17(6-9-26)28-21-11-15-4-7-25-22(27)18(15)12-20(21)24;1-15-2-4-16(5-3-15)14-25-10-7-18(8-11-25)27-21-12-17-6-9-24-22(26)19(17)13-20(21)23;2*22-19-13-18-16(6-9-23-21(18)25)12-20(19)26-17-7-10-24(11-8-17)14-15-4-2-1-3-5-15;21-18-13-17-14(6-9-22-20(17)24)12-19(18)25-16-7-10-23(11-8-16)15-4-2-1-3-5-15;1-13(2)4-8-22-9-5-15(6-10-22)24-18-11-14-3-7-21-19(23)16(14)12-17(18)20;1-18(20,21)5-9-23-7-3-13(4-8-23)25-16-10-12-2-6-22-17(24)14(12)11-15(16)19;19-16-10-15-13(3-6-20-18(15)22)9-17(16)23-14-4-7-21(8-5-14)11-12-1-2-12;1-12(2)11-21-7-4-14(5-8-21)23-17-9-13-3-6-20-18(22)15(13)10-16(17)19;1-2-3-8-21-9-5-14(6-10-21)23-17-11-13-4-7-20-18(22)15(13)12-16(17)19/h2,5,8-12,18H,3-4,6-7,13H2,1H3,(H,25,27);2-4,7,10-12,17H,5-6,8-9,13H2,1H3,(H,25,27);2-6,9,12-13,18H,7-8,10-11,14H2,1H3,(H,24,26);6,9,12-13,15,17H,1-5,7-8,10-11,14H2,(H,23,25);1-6,9,12-13,17H,7-8,10-11,14H2,(H,23,25);6,9,12-13,15-16H,1-5,7-8,10-11H2,(H,22,24);3,7,11-13,15H,4-6,8-10H2,1-2H3,(H,21,23);2,6,10-11,13H,3-5,7-9H2,1H3,(H,22,24);3,6,9-10,12,14H,1-2,4-5,7-8,11H2,(H,20,22);3,6,9-10,12,14H,4-5,7-8,11H2,1-2H3,(H,20,22);4,7,11-12,14H,2-3,5-6,8-10H2,1H3,(H,20,22)
InChIKeyRLWGKLPLIRGKSH-UHFFFAOYSA-N
XLogP47.18
TPSA498.63 Ų
H-Bond Donors11
H-Bond Acceptors33
Rotatable Bonds46
Heavy Atoms278
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004044.45
LogP ≤ 547.18
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1033

Analyze 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 with MolForge

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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-chloro-6-[1-[[4-(1,1-difluoroethyl)phenyl]methyl]piperidin-4-yl]oxy-2H-isoquinolin-1-one;7-chloro-6-[1-[[4-(1,1-difluoroethylsulfonyl)phenyl]methyl]piperidin-4-yl]oxy-2H-isoquinolin-1-one;7-chloro-6-(1-ethylpiperidin-4-yl)oxy-2H-isoquinolin-1-one;7-chloro-6-[1-[[5-fluoro-2-(methyl-methylidene-oxo-lambda6-sulfanyl)phenyl]methyl]piperidin-4-yl]oxy-2H-isoquinolin-1-one;7-chloro-6-[1-[(4-methylsulfonylphenyl)methyl]piperidin-4-yl]oxy-2H-isoquinolin-1-one;7-chloro-6-[1-(naphthalen-1-ylmethyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one;7-chloro-6-[1-(naphthalen-2-ylmethyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one;6-[1-(cyclopropylmethyl)piperidin-4-yl]oxy-7-fluoro-2H-isoquinolin-1-one;6-(1-ethylpiperidin-4-yl)oxy-4-methyl-2H-isoquinolin-1-one;7-fluoro-6-(1-propylpiperidin-4-yl)oxy-2H-isoquinolin-1-one
CID 159281656
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
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
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
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-[4-[amino-(4-fluorophenyl)methyl]cyclohexyl]oxy-7-chloro-2H-isoquinolin-1-one;6-[4-[amino-(4-methoxyphenyl)methyl]cyclohexyl]oxy-7-chloro-2H-isoquinolin-1-one
CID 67075588
6-[1-[(2S)-2-amino-3-(4-methylphenyl)propanoyl]piperidin-4-yl]oxy-7-chloro-2H-isoquinolin-1-one;7-chloro-6-[1-[2-(dimethylamino)acetyl]piperidin-4-yl]oxy-2H-isoquinolin-1-one;7-chloro-6-[1-(1-methylcyclopropanecarbonyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one;7-chloro-6-[1-[(2S)-2-methylpentanoyl]piperidin-4-yl]oxy-2H-isoquinolin-1-one;bis(7-chloro-6-[1-(2-methylpropanoyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one);7-chloro-6-[1-[(2S)-pyrrolidine-2-carbonyl]piperidin-4-yl]oxy-2H-isoquinolin-1-one
CID 157133341
7-chloro-6-(1-propan-2-ylpiperidin-4-yl)oxy-2H-isoquinolin-1-one
CID 158725300

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)CCN1CCC(Oc2cc3cc[nH]c(=O)c3cc2Cl)CC1.CC(C)CN1CCC(Oc2cc3cc[nH]c(=O)c3cc2Cl)CC1.CC(F)(F)CCN1CCC(Oc2cc3cc[nH]c(=O)c3cc2Cl)CC1.CCCCN1CCC(Oc2cc3cc[nH]c(=O)c3cc2Cl)CC1.Cc1cc(Cl)cc(CN2CCC(Oc3cc4cc[nH]c(=O)c4cc3Cl)CC2)c1.Cc1ccc(CN2CCC(Oc3cc4cc[nH]c(=O)c4cc3Cl)CC2)c(Cl)c1.Cc1ccc(CN2CCC(Oc3cc4cc[nH]c(=O)c4cc3Cl)CC2)cc1.O=c1[nH]ccc2cc(OC3CCN(C4CCCCC4)CC3)c(Cl)cc12.O=c1[nH]ccc2cc(OC3CCN(CC4CC4)CC3)c(Cl)cc12.O=c1[nH]ccc2cc(OC3CCN(CC4CCCCC4)CC3)c(Cl)cc12.O=c1[nH]ccc2cc(OC3CCN(Cc4ccccc4)CC3)c(Cl)cc12.
What is the InChIKey of 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?
The InChIKey is RLWGKLPLIRGKSH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C22H22Cl2N2O2.C22H23ClN2O2.C21H27ClN2O2.C21H21ClN2O2.C20H25ClN2O2.C19H25ClN2O2.C18H21ClF2N2O2.C18H21ClN2O2.2C18H23ClN2O2/c1-14-8-15(10-17(23)9-14)13-26-6-3-18(4-7-26)28-21-11-16-2-5-25-22(27)19(16)12-20(21)24;1-14-2-3-16(19(23)10-14)13-26-8-5-17(6-9-26)28-21-11-15-4-7-25-22(27)18(15)12-20(21)24;1-15-2-4-16(5-3-15)14-25-10-7-18(8-11-25)27-21-12-17-6-9-24-22(26)19(17)13-20(21)23;2*22-19-13-18-16(6-9-23-21(18)25)12-20(19)26-17-7-10-24(11-8-17)14-15-4-2-1-3-5-15;21-18-13-17-14(6-9-22-20(17)24)12-19(18)25-16-7-10-23(11-8-16)15-4-2-1-3-5-15;1-13(2)4-8-22-9-5-15(6-10-22)24-18-11-14-3-7-21-19(23)16(14)12-17(18)20;1-18(20,21)5-9-23-7-3-13(4-8-23)25-16-10-12-2-6-22-17(24)14(12)11-15(16)19;19-16-10-15-13(3-6-20-18(15)22)9-17(16)23-14-4-7-21(8-5-14)11-12-1-2-12;1-12(2)11-21-7-4-14(5-8-21)23-17-9-13-3-6-20-18(22)15(13)10-16(17)19;1-2-3-8-21-9-5-14(6-10-21)23-17-11-13-4-7-20-18(22)15(13)12-16(17)19/h2,5,8-12,18H,3-4,6-7,13H2,1H3,(H,25,27);2-4,7,10-12,17H,5-6,8-9,13H2,1H3,(H,25,27);2-6,9,12-13,18H,7-8,10-11,14H2,1H3,(H,24,26);6,9,12-13,15,17H,1-5,7-8,10-11,14H2,(H,23,25);1-6,9,12-13,17H,7-8,10-11,14H2,(H,23,25);6,9,12-13,15-16H,1-5,7-8,10-11H2,(H,22,24);3,7,11-13,15H,4-6,8-10H2,1-2H3,(H,21,23);2,6,10-11,13H,3-5,7-9H2,1H3,(H,22,24);3,6,9-10,12,14H,1-2,4-5,7-8,11H2,(H,20,22);3,6,9-10,12,14H,4-5,7-8,11H2,1-2H3,(H,20,22);4,7,11-12,14H,2-3,5-6,8-10H2,1H3,(H,20,22).
What are the key properties of 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?
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 has a molecular weight of 4044.45 g/mol, XLogP of 47.18, 46 rotatable bonds, 11 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 160662540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).