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

C196H255ClF2N20O20 — CID 159789741

IUPAC6-(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
SMILESCCCCN1CCC(Oc2cc3cc[nH]c(=O)c3cc2C)CC1.CCCN1CCC(Oc2cc3cc[nH]c(=O)c3cc2C)CC1.CCN1CCC(Oc2cc3cc[nH]c(=O)c3cc2C)CC1.Cc1cc2c(=O)[nH]ccc2cc1OC1CCN(C(C)C)CC1.Cc1cc2c(=O)[nH]ccc2cc1OC1CCN(CC(C)C)CC1.Cc1cc2c(=O)[nH]ccc2cc1OC1CCN(CC2CC2)CC1.Cc1cc2c(=O)[nH]ccc2cc1OC1CCN(CC2CCCCC2)CC1.Cc1cc2c(=O)[nH]ccc2cc1OC1CCN(CCC(C)(F)F)CC1.Cc1cc2c(=O)[nH]ccc2cc1OC1CCN(CCC2CCCCC2)CC1.Cc1cccc(CN2CCC(Oc3cc4cc[nH]c(=O)c4cc3Cl)CC2)c1
InChIInChI=1S/C23H32N2O2.C22H23ClN2O2.C22H30N2O2.C19H24F2N2O2.C19H24N2O2.2C19H26N2O2.2C18H24N2O2.C17H22N2O2/c1-17-15-21-19(7-11-24-23(21)26)16-22(17)27-20-9-13-25(14-10-20)12-8-18-5-3-2-4-6-18;1-15-3-2-4-16(11-15)14-25-9-6-18(7-10-25)27-21-12-17-5-8-24-22(26)19(17)13-20(21)23;1-16-13-20-18(7-10-23-22(20)25)14-21(16)26-19-8-11-24(12-9-19)15-17-5-3-2-4-6-17;1-13-11-16-14(3-7-22-18(16)24)12-17(13)25-15-4-8-23(9-5-15)10-6-19(2,20)21;1-13-10-17-15(4-7-20-19(17)22)11-18(13)23-16-5-8-21(9-6-16)12-14-2-3-14;1-13(2)12-21-8-5-16(6-9-21)23-18-11-15-4-7-20-19(22)17(15)10-14(18)3;1-3-4-9-21-10-6-16(7-11-21)23-18-13-15-5-8-20-19(22)17(15)12-14(18)2;1-12(2)20-8-5-15(6-9-20)22-17-11-14-4-7-19-18(21)16(14)10-13(17)3;1-3-8-20-9-5-15(6-10-20)22-17-12-14-4-7-19-18(21)16(14)11-13(17)2;1-3-19-8-5-14(6-9-19)21-16-11-13-4-7-18-17(20)15(13)10-12(16)2/h7,11,15-16,18,20H,2-6,8-10,12-14H2,1H3,(H,24,26);2-5,8,11-13,18H,6-7,9-10,14H2,1H3,(H,24,26);7,10,13-14,17,19H,2-6,8-9,11-12,15H2,1H3,(H,23,25);3,7,11-12,15H,4-6,8-10H2,1-2H3,(H,22,24);4,7,10-11,14,16H,2-3,5-6,8-9,12H2,1H3,(H,20,22);4,7,10-11,13,16H,5-6,8-9,12H2,1-3H3,(H,20,22);5,8,12-13,16H,3-4,6-7,9-11H2,1-2H3,(H,20,22);4,7,10-12,15H,5-6,8-9H2,1-3H3,(H,19,21);4,7,11-12,15H,3,5-6,8-10H2,1-2H3,(H,19,21);4,7,10-11,14H,3,5-6,8-9H2,1-2H3,(H,18,20)
InChIKeyNIKGVLYDUBRYNE-UHFFFAOYSA-N
MW3284.76 g/mol
LogP35.95
Rot. Bonds41

About 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

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 (PubChem CID 159789741) has the molecular formula C196H255ClF2N20O20 and a molecular weight of 3284.76 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-(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
PubChem CID159789741
Molecular FormulaC196H255ClF2N20O20
Molecular Weight3284.76 g/mol
Exact Mass3281.92
IUPAC Name6-(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
SMILESCCCCN1CCC(Oc2cc3cc[nH]c(=O)c3cc2C)CC1.CCCN1CCC(Oc2cc3cc[nH]c(=O)c3cc2C)CC1.CCN1CCC(Oc2cc3cc[nH]c(=O)c3cc2C)CC1.Cc1cc2c(=O)[nH]ccc2cc1OC1CCN(C(C)C)CC1.Cc1cc2c(=O)[nH]ccc2cc1OC1CCN(CC(C)C)CC1.Cc1cc2c(=O)[nH]ccc2cc1OC1CCN(CC2CC2)CC1.Cc1cc2c(=O)[nH]ccc2cc1OC1CCN(CC2CCCCC2)CC1.Cc1cc2c(=O)[nH]ccc2cc1OC1CCN(CCC(C)(F)F)CC1.Cc1cc2c(=O)[nH]ccc2cc1OC1CCN(CCC2CCCCC2)CC1.Cc1cccc(CN2CCC(Oc3cc4cc[nH]c(=O)c4cc3Cl)CC2)c1
InChIInChI=1S/C23H32N2O2.C22H23ClN2O2.C22H30N2O2.C19H24F2N2O2.C19H24N2O2.2C19H26N2O2.2C18H24N2O2.C17H22N2O2/c1-17-15-21-19(7-11-24-23(21)26)16-22(17)27-20-9-13-25(14-10-20)12-8-18-5-3-2-4-6-18;1-15-3-2-4-16(11-15)14-25-9-6-18(7-10-25)27-21-12-17-5-8-24-22(26)19(17)13-20(21)23;1-16-13-20-18(7-10-23-22(20)25)14-21(16)26-19-8-11-24(12-9-19)15-17-5-3-2-4-6-17;1-13-11-16-14(3-7-22-18(16)24)12-17(13)25-15-4-8-23(9-5-15)10-6-19(2,20)21;1-13-10-17-15(4-7-20-19(17)22)11-18(13)23-16-5-8-21(9-6-16)12-14-2-3-14;1-13(2)12-21-8-5-16(6-9-21)23-18-11-15-4-7-20-19(22)17(15)10-14(18)3;1-3-4-9-21-10-6-16(7-11-21)23-18-13-15-5-8-20-19(22)17(15)12-14(18)2;1-12(2)20-8-5-15(6-9-20)22-17-11-14-4-7-19-18(21)16(14)10-13(17)3;1-3-8-20-9-5-15(6-10-20)22-17-12-14-4-7-19-18(21)16(14)11-13(17)2;1-3-19-8-5-14(6-9-19)21-16-11-13-4-7-18-17(20)15(13)10-12(16)2/h7,11,15-16,18,20H,2-6,8-10,12-14H2,1H3,(H,24,26);2-5,8,11-13,18H,6-7,9-10,14H2,1H3,(H,24,26);7,10,13-14,17,19H,2-6,8-9,11-12,15H2,1H3,(H,23,25);3,7,11-12,15H,4-6,8-10H2,1-2H3,(H,22,24);4,7,10-11,14,16H,2-3,5-6,8-9,12H2,1H3,(H,20,22);4,7,10-11,13,16H,5-6,8-9,12H2,1-3H3,(H,20,22);5,8,12-13,16H,3-4,6-7,9-11H2,1-2H3,(H,20,22);4,7,10-12,15H,5-6,8-9H2,1-3H3,(H,19,21);4,7,11-12,15H,3,5-6,8-10H2,1-2H3,(H,19,21);4,7,10-11,14H,3,5-6,8-9H2,1-2H3,(H,18,20)
InChIKeyNIKGVLYDUBRYNE-UHFFFAOYSA-N
XLogP35.95
TPSA453.30 Ų
H-Bond Donors10
H-Bond Acceptors30
Rotatable Bonds41
Heavy Atoms239
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003284.76
LogP ≤ 535.95
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1030

Analyze 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 with MolForge

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Launch Full Analysis

Related Compounds

7-chloro-6-[1-[[4-(1,1-difluoroethyl)phenyl]methyl]piperidin-4-yl]oxy-2H-isoquinolin-1-one
CID 67731828
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-(cyclohexylmethoxy)-2H-isoquinolin-1-one;6-cyclohexyloxy-4,7-dimethyl-2H-isoquinolin-1-one;6-cyclohexyloxy-4-ethyl-5-fluoro-2H-isoquinolin-1-one;6-cyclohexyloxy-4-ethyl-7-fluoro-2H-isoquinolin-1-one;6-cyclohexyloxy-4-ethyl-2H-isoquinolin-1-one;6-cyclohexyloxy-4-methyl-7-(trifluoromethyl)-2H-isoquinolin-1-one;bis(6-[(2S)-2-methylpiperidin-4-yl]oxy-2H-isoquinolin-1-one)
CID 157133472
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
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-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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCCCN1CCC(Oc2cc3cc[nH]c(=O)c3cc2C)CC1.CCCN1CCC(Oc2cc3cc[nH]c(=O)c3cc2C)CC1.CCN1CCC(Oc2cc3cc[nH]c(=O)c3cc2C)CC1.Cc1cc2c(=O)[nH]ccc2cc1OC1CCN(C(C)C)CC1.Cc1cc2c(=O)[nH]ccc2cc1OC1CCN(CC(C)C)CC1.Cc1cc2c(=O)[nH]ccc2cc1OC1CCN(CC2CC2)CC1.Cc1cc2c(=O)[nH]ccc2cc1OC1CCN(CC2CCCCC2)CC1.Cc1cc2c(=O)[nH]ccc2cc1OC1CCN(CCC(C)(F)F)CC1.Cc1cc2c(=O)[nH]ccc2cc1OC1CCN(CCC2CCCCC2)CC1.Cc1cccc(CN2CCC(Oc3cc4cc[nH]c(=O)c4cc3Cl)CC2)c1.
What is the InChIKey of 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?
The InChIKey is NIKGVLYDUBRYNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O2.C22H23ClN2O2.C22H30N2O2.C19H24F2N2O2.C19H24N2O2.2C19H26N2O2.2C18H24N2O2.C17H22N2O2/c1-17-15-21-19(7-11-24-23(21)26)16-22(17)27-20-9-13-25(14-10-20)12-8-18-5-3-2-4-6-18;1-15-3-2-4-16(11-15)14-25-9-6-18(7-10-25)27-21-12-17-5-8-24-22(26)19(17)13-20(21)23;1-16-13-20-18(7-10-23-22(20)25)14-21(16)26-19-8-11-24(12-9-19)15-17-5-3-2-4-6-17;1-13-11-16-14(3-7-22-18(16)24)12-17(13)25-15-4-8-23(9-5-15)10-6-19(2,20)21;1-13-10-17-15(4-7-20-19(17)22)11-18(13)23-16-5-8-21(9-6-16)12-14-2-3-14;1-13(2)12-21-8-5-16(6-9-21)23-18-11-15-4-7-20-19(22)17(15)10-14(18)3;1-3-4-9-21-10-6-16(7-11-21)23-18-13-15-5-8-20-19(22)17(15)12-14(18)2;1-12(2)20-8-5-15(6-9-20)22-17-11-14-4-7-19-18(21)16(14)10-13(17)3;1-3-8-20-9-5-15(6-10-20)22-17-12-14-4-7-19-18(21)16(14)11-13(17)2;1-3-19-8-5-14(6-9-19)21-16-11-13-4-7-18-17(20)15(13)10-12(16)2/h7,11,15-16,18,20H,2-6,8-10,12-14H2,1H3,(H,24,26);2-5,8,11-13,18H,6-7,9-10,14H2,1H3,(H,24,26);7,10,13-14,17,19H,2-6,8-9,11-12,15H2,1H3,(H,23,25);3,7,11-12,15H,4-6,8-10H2,1-2H3,(H,22,24);4,7,10-11,14,16H,2-3,5-6,8-9,12H2,1H3,(H,20,22);4,7,10-11,13,16H,5-6,8-9,12H2,1-3H3,(H,20,22);5,8,12-13,16H,3-4,6-7,9-11H2,1-2H3,(H,20,22);4,7,10-12,15H,5-6,8-9H2,1-3H3,(H,19,21);4,7,11-12,15H,3,5-6,8-10H2,1-2H3,(H,19,21);4,7,10-11,14H,3,5-6,8-9H2,1-2H3,(H,18,20).
What are the key properties of 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?
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 has a molecular weight of 3284.76 g/mol, XLogP of 35.95, 41 rotatable bonds, 10 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159789741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).