6-(1-butylpiperidin-4-yl)oxy-4-methyl-2H-isoquinolin-1-one;7-chloro-6-(1-ethylpiperidin-4-yl)oxy-2H-isoquinolin-1-one;7-chloro-6-[1-(naphthalen-1-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;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

C167H206Cl2F2N18O18 — CID 160953238

IUPAC6-(1-butylpiperidin-4-yl)oxy-4-methyl-2H-isoquinolin-1-one;7-chloro-6-(1-ethylpiperidin-4-yl)oxy-2H-isoquinolin-1-one;7-chloro-6-[1-(naphthalen-1-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;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
SMILESCCCCN1CCC(Oc2ccc3c(=O)[nH]cc(C)c3c2)CC1.CCCN1CCC(Oc2cc3cc[nH]c(=O)c3cc2F)CC1.CCCN1CCC(Oc2ccc3c(=O)[nH]cc(C)c3c2)CC1.CCN1CCC(Oc2cc3cc[nH]c(=O)c3cc2Cl)CC1.CCN1CCC(Oc2ccc3c(=O)[nH]cc(C)c3c2)CC1.Cc1c[nH]c(=O)c2ccc(OC3CCN(C(C)C)CC3)cc12.Cc1c[nH]c(=O)c2ccc(OC3CCN(CC(C)C)CC3)cc12.O=c1[nH]ccc2cc(OC3CCN(CC4CC4)CC3)c(F)cc12.O=c1[nH]ccc2cc(OC3CCN(Cc4cccc5ccccc45)CC3)c(Cl)cc12
InChIInChI=1S/C25H23ClN2O2.2C19H26N2O2.C18H21FN2O2.2C18H24N2O2.C17H21FN2O2.C17H22N2O2.C16H19ClN2O2/c26-23-15-22-18(8-11-27-25(22)29)14-24(23)30-20-9-12-28(13-10-20)16-19-6-3-5-17-4-1-2-7-21(17)19;1-13(2)12-21-8-6-15(7-9-21)23-16-4-5-17-18(10-16)14(3)11-20-19(17)22;1-3-4-9-21-10-7-15(8-11-21)23-16-5-6-17-18(12-16)14(2)13-20-19(17)22;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)20-8-6-14(7-9-20)22-15-4-5-16-17(10-15)13(3)11-19-18(16)21;1-3-8-20-9-6-14(7-10-20)22-15-4-5-16-17(11-15)13(2)12-19-18(16)21;1-2-7-20-8-4-13(5-9-20)22-16-10-12-3-6-19-17(21)14(12)11-15(16)18;1-3-19-8-6-13(7-9-19)21-14-4-5-15-16(10-14)12(2)11-18-17(15)20;1-2-19-7-4-12(5-8-19)21-15-9-11-3-6-18-16(20)13(11)10-14(15)17/h1-8,11,14-15,20H,9-10,12-13,16H2,(H,27,29);4-5,10-11,13,15H,6-9,12H2,1-3H3,(H,20,22);5-6,12-13,15H,3-4,7-11H2,1-2H3,(H,20,22);3,6,9-10,12,14H,1-2,4-5,7-8,11H2,(H,20,22);4-5,10-12,14H,6-9H2,1-3H3,(H,19,21);4-5,11-12,14H,3,6-10H2,1-2H3,(H,19,21);3,6,10-11,13H,2,4-5,7-9H2,1H3,(H,19,21);4-5,10-11,13H,3,6-9H2,1-2H3,(H,18,20);3,6,9-10,12H,2,4-5,7-8H2,1H3,(H,18,20)
InChIKeySWASSGVSVKBYQY-UHFFFAOYSA-N
MW2862.49 g/mol
LogP29.96
Rot. Bonds34

About 6-(1-butylpiperidin-4-yl)oxy-4-methyl-2H-isoquinolin-1-one;7-chloro-6-(1-ethylpiperidin-4-yl)oxy-2H-isoquinolin-1-one;7-chloro-6-[1-(naphthalen-1-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;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

6-(1-butylpiperidin-4-yl)oxy-4-methyl-2H-isoquinolin-1-one;7-chloro-6-(1-ethylpiperidin-4-yl)oxy-2H-isoquinolin-1-one;7-chloro-6-[1-(naphthalen-1-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;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 (PubChem CID 160953238) has the molecular formula C167H206Cl2F2N18O18 and a molecular weight of 2862.49 g/mol. Its IUPAC name is 6-(1-butylpiperidin-4-yl)oxy-4-methyl-2H-isoquinolin-1-one;7-chloro-6-(1-ethylpiperidin-4-yl)oxy-2H-isoquinolin-1-one;7-chloro-6-[1-(naphthalen-1-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;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.

Molecular Properties

Compound Name6-(1-butylpiperidin-4-yl)oxy-4-methyl-2H-isoquinolin-1-one;7-chloro-6-(1-ethylpiperidin-4-yl)oxy-2H-isoquinolin-1-one;7-chloro-6-[1-(naphthalen-1-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;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
PubChem CID160953238
Molecular FormulaC167H206Cl2F2N18O18
Molecular Weight2862.49 g/mol
Exact Mass2859.51
IUPAC Name6-(1-butylpiperidin-4-yl)oxy-4-methyl-2H-isoquinolin-1-one;7-chloro-6-(1-ethylpiperidin-4-yl)oxy-2H-isoquinolin-1-one;7-chloro-6-[1-(naphthalen-1-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;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
SMILESCCCCN1CCC(Oc2ccc3c(=O)[nH]cc(C)c3c2)CC1.CCCN1CCC(Oc2cc3cc[nH]c(=O)c3cc2F)CC1.CCCN1CCC(Oc2ccc3c(=O)[nH]cc(C)c3c2)CC1.CCN1CCC(Oc2cc3cc[nH]c(=O)c3cc2Cl)CC1.CCN1CCC(Oc2ccc3c(=O)[nH]cc(C)c3c2)CC1.Cc1c[nH]c(=O)c2ccc(OC3CCN(C(C)C)CC3)cc12.Cc1c[nH]c(=O)c2ccc(OC3CCN(CC(C)C)CC3)cc12.O=c1[nH]ccc2cc(OC3CCN(CC4CC4)CC3)c(F)cc12.O=c1[nH]ccc2cc(OC3CCN(Cc4cccc5ccccc45)CC3)c(Cl)cc12
InChIInChI=1S/C25H23ClN2O2.2C19H26N2O2.C18H21FN2O2.2C18H24N2O2.C17H21FN2O2.C17H22N2O2.C16H19ClN2O2/c26-23-15-22-18(8-11-27-25(22)29)14-24(23)30-20-9-12-28(13-10-20)16-19-6-3-5-17-4-1-2-7-21(17)19;1-13(2)12-21-8-6-15(7-9-21)23-16-4-5-17-18(10-16)14(3)11-20-19(17)22;1-3-4-9-21-10-7-15(8-11-21)23-16-5-6-17-18(12-16)14(2)13-20-19(17)22;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)20-8-6-14(7-9-20)22-15-4-5-16-17(10-15)13(3)11-19-18(16)21;1-3-8-20-9-6-14(7-10-20)22-15-4-5-16-17(11-15)13(2)12-19-18(16)21;1-2-7-20-8-4-13(5-9-20)22-16-10-12-3-6-19-17(21)14(12)11-15(16)18;1-3-19-8-6-13(7-9-19)21-14-4-5-15-16(10-14)12(2)11-18-17(15)20;1-2-19-7-4-12(5-8-19)21-15-9-11-3-6-18-16(20)13(11)10-14(15)17/h1-8,11,14-15,20H,9-10,12-13,16H2,(H,27,29);4-5,10-11,13,15H,6-9,12H2,1-3H3,(H,20,22);5-6,12-13,15H,3-4,7-11H2,1-2H3,(H,20,22);3,6,9-10,12,14H,1-2,4-5,7-8,11H2,(H,20,22);4-5,10-12,14H,6-9H2,1-3H3,(H,19,21);4-5,11-12,14H,3,6-10H2,1-2H3,(H,19,21);3,6,10-11,13H,2,4-5,7-9H2,1H3,(H,19,21);4-5,10-11,13H,3,6-9H2,1-2H3,(H,18,20);3,6,9-10,12H,2,4-5,7-8H2,1H3,(H,18,20)
InChIKeySWASSGVSVKBYQY-UHFFFAOYSA-N
XLogP29.96
TPSA407.97 Ų
H-Bond Donors9
H-Bond Acceptors27
Rotatable Bonds34
Heavy Atoms207
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002862.49
LogP ≤ 529.96
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1027

Analyze 6-(1-butylpiperidin-4-yl)oxy-4-methyl-2H-isoquinolin-1-one;7-chloro-6-(1-ethylpiperidin-4-yl)oxy-2H-isoquinolin-1-one;7-chloro-6-[1-(naphthalen-1-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;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 with MolForge

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Related Compounds

6-[4-(1-aminopropyl)-4-(2-methoxyphenyl)cyclohexyl]oxy-7-chloro-2H-isoquinolin-1-one;6-[4-(1-aminopropyl)-4-[4-(trifluoromethoxy)phenyl]cyclohexyl]oxy-7-chloro-2H-isoquinolin-1-one
CID 87259736
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
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
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
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

Frequently Asked Questions

What is the IUPAC name of 6-(1-butylpiperidin-4-yl)oxy-4-methyl-2H-isoquinolin-1-one;7-chloro-6-(1-ethylpiperidin-4-yl)oxy-2H-isoquinolin-1-one;7-chloro-6-[1-(naphthalen-1-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;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?
The IUPAC name of 6-(1-butylpiperidin-4-yl)oxy-4-methyl-2H-isoquinolin-1-one;7-chloro-6-(1-ethylpiperidin-4-yl)oxy-2H-isoquinolin-1-one;7-chloro-6-[1-(naphthalen-1-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;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 160953238) is 6-(1-butylpiperidin-4-yl)oxy-4-methyl-2H-isoquinolin-1-one;7-chloro-6-(1-ethylpiperidin-4-yl)oxy-2H-isoquinolin-1-one;7-chloro-6-[1-(naphthalen-1-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;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.
What is the SMILES notation for 6-(1-butylpiperidin-4-yl)oxy-4-methyl-2H-isoquinolin-1-one;7-chloro-6-(1-ethylpiperidin-4-yl)oxy-2H-isoquinolin-1-one;7-chloro-6-[1-(naphthalen-1-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;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?
The canonical SMILES for 6-(1-butylpiperidin-4-yl)oxy-4-methyl-2H-isoquinolin-1-one;7-chloro-6-(1-ethylpiperidin-4-yl)oxy-2H-isoquinolin-1-one;7-chloro-6-[1-(naphthalen-1-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;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 is CCCCN1CCC(Oc2ccc3c(=O)[nH]cc(C)c3c2)CC1.CCCN1CCC(Oc2cc3cc[nH]c(=O)c3cc2F)CC1.CCCN1CCC(Oc2ccc3c(=O)[nH]cc(C)c3c2)CC1.CCN1CCC(Oc2cc3cc[nH]c(=O)c3cc2Cl)CC1.CCN1CCC(Oc2ccc3c(=O)[nH]cc(C)c3c2)CC1.Cc1c[nH]c(=O)c2ccc(OC3CCN(C(C)C)CC3)cc12.Cc1c[nH]c(=O)c2ccc(OC3CCN(CC(C)C)CC3)cc12.O=c1[nH]ccc2cc(OC3CCN(CC4CC4)CC3)c(F)cc12.O=c1[nH]ccc2cc(OC3CCN(Cc4cccc5ccccc45)CC3)c(Cl)cc12.
What is the InChIKey of 6-(1-butylpiperidin-4-yl)oxy-4-methyl-2H-isoquinolin-1-one;7-chloro-6-(1-ethylpiperidin-4-yl)oxy-2H-isoquinolin-1-one;7-chloro-6-[1-(naphthalen-1-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;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?
The InChIKey is SWASSGVSVKBYQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23ClN2O2.2C19H26N2O2.C18H21FN2O2.2C18H24N2O2.C17H21FN2O2.C17H22N2O2.C16H19ClN2O2/c26-23-15-22-18(8-11-27-25(22)29)14-24(23)30-20-9-12-28(13-10-20)16-19-6-3-5-17-4-1-2-7-21(17)19;1-13(2)12-21-8-6-15(7-9-21)23-16-4-5-17-18(10-16)14(3)11-20-19(17)22;1-3-4-9-21-10-7-15(8-11-21)23-16-5-6-17-18(12-16)14(2)13-20-19(17)22;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)20-8-6-14(7-9-20)22-15-4-5-16-17(10-15)13(3)11-19-18(16)21;1-3-8-20-9-6-14(7-10-20)22-15-4-5-16-17(11-15)13(2)12-19-18(16)21;1-2-7-20-8-4-13(5-9-20)22-16-10-12-3-6-19-17(21)14(12)11-15(16)18;1-3-19-8-6-13(7-9-19)21-14-4-5-15-16(10-14)12(2)11-18-17(15)20;1-2-19-7-4-12(5-8-19)21-15-9-11-3-6-18-16(20)13(11)10-14(15)17/h1-8,11,14-15,20H,9-10,12-13,16H2,(H,27,29);4-5,10-11,13,15H,6-9,12H2,1-3H3,(H,20,22);5-6,12-13,15H,3-4,7-11H2,1-2H3,(H,20,22);3,6,9-10,12,14H,1-2,4-5,7-8,11H2,(H,20,22);4-5,10-12,14H,6-9H2,1-3H3,(H,19,21);4-5,11-12,14H,3,6-10H2,1-2H3,(H,19,21);3,6,10-11,13H,2,4-5,7-9H2,1H3,(H,19,21);4-5,10-11,13H,3,6-9H2,1-2H3,(H,18,20);3,6,9-10,12H,2,4-5,7-8H2,1H3,(H,18,20).
What are the key properties of 6-(1-butylpiperidin-4-yl)oxy-4-methyl-2H-isoquinolin-1-one;7-chloro-6-(1-ethylpiperidin-4-yl)oxy-2H-isoquinolin-1-one;7-chloro-6-[1-(naphthalen-1-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;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?
6-(1-butylpiperidin-4-yl)oxy-4-methyl-2H-isoquinolin-1-one;7-chloro-6-(1-ethylpiperidin-4-yl)oxy-2H-isoquinolin-1-one;7-chloro-6-[1-(naphthalen-1-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;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 has a molecular weight of 2862.49 g/mol, XLogP of 29.96, 34 rotatable bonds, 9 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-butylpiperidin-4-yl)oxy-4-methyl-2H-isoquinolin-1-one;7-chloro-6-(1-ethylpiperidin-4-yl)oxy-2H-isoquinolin-1-one;7-chloro-6-[1-(naphthalen-1-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;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 is sourced from PubChem (CID 160953238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).