6-[1-[(2S)-2-amino-4-methylpentanoyl]piperidin-4-yl]oxy-7-chloro-2H-isoquinolin-1-one;6-(1-butanoylpiperidin-4-yl)oxy-7-chloro-2H-isoquinolin-1-one;7-chloro-6-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one;7-chloro-6-[1-[(2S)-2-methylbutanoyl]piperidin-4-yl]oxy-2H-isoquinolin-1-one;7-chloro-6-[1-(2-methylpropanoyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one;2-[2-[4-[(7-chloro-1-oxo-2H-isoquinolin-6-yl)oxy]piperidin-1-yl]-2-oxoethyl]isoindole-1,3-dione;7-chloro-6-[1-[(2S)-2,3,3-trimethylbutanoyl]piperidin-4-yl]oxy-2H-isoquinolin-1-one;hydrochloride

C139H162Cl8N16O23 — CID 162003853

IUPAC6-[1-[(2S)-2-amino-4-methylpentanoyl]piperidin-4-yl]oxy-7-chloro-2H-isoquinolin-1-one;6-(1-butanoylpiperidin-4-yl)oxy-7-chloro-2H-isoquinolin-1-one;7-chloro-6-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one;7-chloro-6-[1-[(2S)-2-methylbutanoyl]piperidin-4-yl]oxy-2H-isoquinolin-1-one;7-chloro-6-[1-(2-methylpropanoyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one;2-[2-[4-[(7-chloro-1-oxo-2H-isoquinolin-6-yl)oxy]piperidin-1-yl]-2-oxoethyl]isoindole-1,3-dione;7-chloro-6-[1-[(2S)-2,3,3-trimethylbutanoyl]piperidin-4-yl]oxy-2H-isoquinolin-1-one;hydrochloride
SMILESCC(C)(C)C(=O)N1CCC(Oc2cc3cc[nH]c(=O)c3cc2Cl)CC1.CC(C)C(=O)N1CCC(Oc2cc3cc[nH]c(=O)c3cc2Cl)CC1.CC(C)C[C@H](N)C(=O)N1CCC(Oc2cc3cc[nH]c(=O)c3cc2Cl)CC1.CCCC(=O)N1CCC(Oc2cc3cc[nH]c(=O)c3cc2Cl)CC1.CC[C@H](C)C(=O)N1CCC(Oc2cc3cc[nH]c(=O)c3cc2Cl)CC1.C[C@H](C(=O)N1CCC(Oc2cc3cc[nH]c(=O)c3cc2Cl)CC1)C(C)(C)C.Cl.O=C(CN1C(=O)c2ccccc2C1=O)N1CCC(Oc2cc3cc[nH]c(=O)c3cc2Cl)CC1
InChIInChI=1S/C24H20ClN3O5.C21H27ClN2O3.C20H26ClN3O3.2C19H23ClN2O3.2C18H21ClN2O3.ClH/c25-19-12-18-14(5-8-26-22(18)30)11-20(19)33-15-6-9-27(10-7-15)21(29)13-28-23(31)16-3-1-2-4-17(16)24(28)32;1-13(21(2,3)4)20(26)24-9-6-15(7-10-24)27-18-11-14-5-8-23-19(25)16(14)12-17(18)22;1-12(2)9-17(22)20(26)24-7-4-14(5-8-24)27-18-10-13-3-6-23-19(25)15(13)11-16(18)21;1-19(2,3)18(24)22-8-5-13(6-9-22)25-16-10-12-4-7-21-17(23)14(12)11-15(16)20;1-3-12(2)19(24)22-8-5-14(6-9-22)25-17-10-13-4-7-21-18(23)15(13)11-16(17)20;1-11(2)18(23)21-7-4-13(5-8-21)24-16-9-12-3-6-20-17(22)14(12)10-15(16)19;1-2-3-17(22)21-8-5-13(6-9-21)24-16-10-12-4-7-20-18(23)14(12)11-15(16)19;/h1-5,8,11-12,15H,6-7,9-10,13H2,(H,26,30);5,8,11-13,15H,6-7,9-10H2,1-4H3,(H,23,25);3,6,10-12,14,17H,4-5,7-9,22H2,1-2H3,(H,23,25);4,7,10-11,13H,5-6,8-9H2,1-3H3,(H,21,23);4,7,10-12,14H,3,5-6,8-9H2,1-2H3,(H,21,23);3,6,9-11,13H,4-5,7-8H2,1-2H3,(H,20,22);4,7,10-11,13H,2-3,5-6,8-9H2,1H3,(H,20,23);1H/t;13-;17-;;12-;;;/m.10.0.../s1
InChIKeyLVJSADJFGIYONB-GZLXGWACSA-N
MW2708.54 g/mol
LogP24.18
Rot. Bonds25

About 6-[1-[(2S)-2-amino-4-methylpentanoyl]piperidin-4-yl]oxy-7-chloro-2H-isoquinolin-1-one;6-(1-butanoylpiperidin-4-yl)oxy-7-chloro-2H-isoquinolin-1-one;7-chloro-6-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one;7-chloro-6-[1-[(2S)-2-methylbutanoyl]piperidin-4-yl]oxy-2H-isoquinolin-1-one;7-chloro-6-[1-(2-methylpropanoyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one;2-[2-[4-[(7-chloro-1-oxo-2H-isoquinolin-6-yl)oxy]piperidin-1-yl]-2-oxoethyl]isoindole-1,3-dione;7-chloro-6-[1-[(2S)-2,3,3-trimethylbutanoyl]piperidin-4-yl]oxy-2H-isoquinolin-1-one;hydrochloride

6-[1-[(2S)-2-amino-4-methylpentanoyl]piperidin-4-yl]oxy-7-chloro-2H-isoquinolin-1-one;6-(1-butanoylpiperidin-4-yl)oxy-7-chloro-2H-isoquinolin-1-one;7-chloro-6-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one;7-chloro-6-[1-[(2S)-2-methylbutanoyl]piperidin-4-yl]oxy-2H-isoquinolin-1-one;7-chloro-6-[1-(2-methylpropanoyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one;2-[2-[4-[(7-chloro-1-oxo-2H-isoquinolin-6-yl)oxy]piperidin-1-yl]-2-oxoethyl]isoindole-1,3-dione;7-chloro-6-[1-[(2S)-2,3,3-trimethylbutanoyl]piperidin-4-yl]oxy-2H-isoquinolin-1-one;hydrochloride (PubChem CID 162003853) has the molecular formula C139H162Cl8N16O23 and a molecular weight of 2708.54 g/mol. Its IUPAC name is 6-[1-[(2S)-2-amino-4-methylpentanoyl]piperidin-4-yl]oxy-7-chloro-2H-isoquinolin-1-one;6-(1-butanoylpiperidin-4-yl)oxy-7-chloro-2H-isoquinolin-1-one;7-chloro-6-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one;7-chloro-6-[1-[(2S)-2-methylbutanoyl]piperidin-4-yl]oxy-2H-isoquinolin-1-one;7-chloro-6-[1-(2-methylpropanoyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one;2-[2-[4-[(7-chloro-1-oxo-2H-isoquinolin-6-yl)oxy]piperidin-1-yl]-2-oxoethyl]isoindole-1,3-dione;7-chloro-6-[1-[(2S)-2,3,3-trimethylbutanoyl]piperidin-4-yl]oxy-2H-isoquinolin-1-one;hydrochloride.

Molecular Properties

Compound Name6-[1-[(2S)-2-amino-4-methylpentanoyl]piperidin-4-yl]oxy-7-chloro-2H-isoquinolin-1-one;6-(1-butanoylpiperidin-4-yl)oxy-7-chloro-2H-isoquinolin-1-one;7-chloro-6-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one;7-chloro-6-[1-[(2S)-2-methylbutanoyl]piperidin-4-yl]oxy-2H-isoquinolin-1-one;7-chloro-6-[1-(2-methylpropanoyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one;2-[2-[4-[(7-chloro-1-oxo-2H-isoquinolin-6-yl)oxy]piperidin-1-yl]-2-oxoethyl]isoindole-1,3-dione;7-chloro-6-[1-[(2S)-2,3,3-trimethylbutanoyl]piperidin-4-yl]oxy-2H-isoquinolin-1-one;hydrochloride
PubChem CID162003853
Molecular FormulaC139H162Cl8N16O23
Molecular Weight2708.54 g/mol
Exact Mass2702.95
IUPAC Name6-[1-[(2S)-2-amino-4-methylpentanoyl]piperidin-4-yl]oxy-7-chloro-2H-isoquinolin-1-one;6-(1-butanoylpiperidin-4-yl)oxy-7-chloro-2H-isoquinolin-1-one;7-chloro-6-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one;7-chloro-6-[1-[(2S)-2-methylbutanoyl]piperidin-4-yl]oxy-2H-isoquinolin-1-one;7-chloro-6-[1-(2-methylpropanoyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one;2-[2-[4-[(7-chloro-1-oxo-2H-isoquinolin-6-yl)oxy]piperidin-1-yl]-2-oxoethyl]isoindole-1,3-dione;7-chloro-6-[1-[(2S)-2,3,3-trimethylbutanoyl]piperidin-4-yl]oxy-2H-isoquinolin-1-one;hydrochloride
SMILESCC(C)(C)C(=O)N1CCC(Oc2cc3cc[nH]c(=O)c3cc2Cl)CC1.CC(C)C(=O)N1CCC(Oc2cc3cc[nH]c(=O)c3cc2Cl)CC1.CC(C)C[C@H](N)C(=O)N1CCC(Oc2cc3cc[nH]c(=O)c3cc2Cl)CC1.CCCC(=O)N1CCC(Oc2cc3cc[nH]c(=O)c3cc2Cl)CC1.CC[C@H](C)C(=O)N1CCC(Oc2cc3cc[nH]c(=O)c3cc2Cl)CC1.C[C@H](C(=O)N1CCC(Oc2cc3cc[nH]c(=O)c3cc2Cl)CC1)C(C)(C)C.Cl.O=C(CN1C(=O)c2ccccc2C1=O)N1CCC(Oc2cc3cc[nH]c(=O)c3cc2Cl)CC1
InChIInChI=1S/C24H20ClN3O5.C21H27ClN2O3.C20H26ClN3O3.2C19H23ClN2O3.2C18H21ClN2O3.ClH/c25-19-12-18-14(5-8-26-22(18)30)11-20(19)33-15-6-9-27(10-7-15)21(29)13-28-23(31)16-3-1-2-4-17(16)24(28)32;1-13(21(2,3)4)20(26)24-9-6-15(7-10-24)27-18-11-14-5-8-23-19(25)16(14)12-17(18)22;1-12(2)9-17(22)20(26)24-7-4-14(5-8-24)27-18-10-13-3-6-23-19(25)15(13)11-16(18)21;1-19(2,3)18(24)22-8-5-13(6-9-22)25-16-10-12-4-7-21-17(23)14(12)11-15(16)20;1-3-12(2)19(24)22-8-5-14(6-9-22)25-17-10-13-4-7-21-18(23)15(13)11-16(17)20;1-11(2)18(23)21-7-4-13(5-8-21)24-16-9-12-3-6-20-17(22)14(12)10-15(16)19;1-2-3-17(22)21-8-5-13(6-9-21)24-16-10-12-4-7-20-18(23)14(12)11-15(16)19;/h1-5,8,11-12,15H,6-7,9-10,13H2,(H,26,30);5,8,11-13,15H,6-7,9-10H2,1-4H3,(H,23,25);3,6,10-12,14,17H,4-5,7-9,22H2,1-2H3,(H,23,25);4,7,10-11,13H,5-6,8-9H2,1-3H3,(H,21,23);4,7,10-12,14H,3,5-6,8-9H2,1-2H3,(H,21,23);3,6,9-11,13H,4-5,7-8H2,1-2H3,(H,20,22);4,7,10-11,13H,2-3,5-6,8-9H2,1H3,(H,20,23);1H/t;13-;17-;;12-;;;/m.10.0.../s1
InChIKeyLVJSADJFGIYONB-GZLXGWACSA-N
XLogP24.18
TPSA500.20 Ų
H-Bond Donors8
H-Bond Acceptors24
Rotatable Bonds25
Heavy Atoms186
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002708.54
LogP ≤ 524.18
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 6-[1-[(2S)-2-amino-4-methylpentanoyl]piperidin-4-yl]oxy-7-chloro-2H-isoquinolin-1-one;6-(1-butanoylpiperidin-4-yl)oxy-7-chloro-2H-isoquinolin-1-one;7-chloro-6-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one;7-chloro-6-[1-[(2S)-2-methylbutanoyl]piperidin-4-yl]oxy-2H-isoquinolin-1-one;7-chloro-6-[1-(2-methylpropanoyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one;2-[2-[4-[(7-chloro-1-oxo-2H-isoquinolin-6-yl)oxy]piperidin-1-yl]-2-oxoethyl]isoindole-1,3-dione;7-chloro-6-[1-[(2S)-2,3,3-trimethylbutanoyl]piperidin-4-yl]oxy-2H-isoquinolin-1-one;hydrochloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[1-[(2S)-2-amino-4-methylpentanoyl]piperidin-4-yl]oxy-7-chloro-2H-isoquinolin-1-one;6-(1-butanoylpiperidin-4-yl)oxy-7-chloro-2H-isoquinolin-1-one;7-chloro-6-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one;7-chloro-6-[1-[(2S)-2-methylbutanoyl]piperidin-4-yl]oxy-2H-isoquinolin-1-one;7-chloro-6-[1-(2-methylpropanoyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one;2-[2-[4-[(7-chloro-1-oxo-2H-isoquinolin-6-yl)oxy]piperidin-1-yl]-2-oxoethyl]isoindole-1,3-dione;7-chloro-6-[1-[(2S)-2,3,3-trimethylbutanoyl]piperidin-4-yl]oxy-2H-isoquinolin-1-one;hydrochloride?
The IUPAC name of 6-[1-[(2S)-2-amino-4-methylpentanoyl]piperidin-4-yl]oxy-7-chloro-2H-isoquinolin-1-one;6-(1-butanoylpiperidin-4-yl)oxy-7-chloro-2H-isoquinolin-1-one;7-chloro-6-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one;7-chloro-6-[1-[(2S)-2-methylbutanoyl]piperidin-4-yl]oxy-2H-isoquinolin-1-one;7-chloro-6-[1-(2-methylpropanoyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one;2-[2-[4-[(7-chloro-1-oxo-2H-isoquinolin-6-yl)oxy]piperidin-1-yl]-2-oxoethyl]isoindole-1,3-dione;7-chloro-6-[1-[(2S)-2,3,3-trimethylbutanoyl]piperidin-4-yl]oxy-2H-isoquinolin-1-one;hydrochloride (CID 162003853) is 6-[1-[(2S)-2-amino-4-methylpentanoyl]piperidin-4-yl]oxy-7-chloro-2H-isoquinolin-1-one;6-(1-butanoylpiperidin-4-yl)oxy-7-chloro-2H-isoquinolin-1-one;7-chloro-6-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one;7-chloro-6-[1-[(2S)-2-methylbutanoyl]piperidin-4-yl]oxy-2H-isoquinolin-1-one;7-chloro-6-[1-(2-methylpropanoyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one;2-[2-[4-[(7-chloro-1-oxo-2H-isoquinolin-6-yl)oxy]piperidin-1-yl]-2-oxoethyl]isoindole-1,3-dione;7-chloro-6-[1-[(2S)-2,3,3-trimethylbutanoyl]piperidin-4-yl]oxy-2H-isoquinolin-1-one;hydrochloride.
What is the SMILES notation for 6-[1-[(2S)-2-amino-4-methylpentanoyl]piperidin-4-yl]oxy-7-chloro-2H-isoquinolin-1-one;6-(1-butanoylpiperidin-4-yl)oxy-7-chloro-2H-isoquinolin-1-one;7-chloro-6-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one;7-chloro-6-[1-[(2S)-2-methylbutanoyl]piperidin-4-yl]oxy-2H-isoquinolin-1-one;7-chloro-6-[1-(2-methylpropanoyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one;2-[2-[4-[(7-chloro-1-oxo-2H-isoquinolin-6-yl)oxy]piperidin-1-yl]-2-oxoethyl]isoindole-1,3-dione;7-chloro-6-[1-[(2S)-2,3,3-trimethylbutanoyl]piperidin-4-yl]oxy-2H-isoquinolin-1-one;hydrochloride?
The canonical SMILES for 6-[1-[(2S)-2-amino-4-methylpentanoyl]piperidin-4-yl]oxy-7-chloro-2H-isoquinolin-1-one;6-(1-butanoylpiperidin-4-yl)oxy-7-chloro-2H-isoquinolin-1-one;7-chloro-6-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one;7-chloro-6-[1-[(2S)-2-methylbutanoyl]piperidin-4-yl]oxy-2H-isoquinolin-1-one;7-chloro-6-[1-(2-methylpropanoyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one;2-[2-[4-[(7-chloro-1-oxo-2H-isoquinolin-6-yl)oxy]piperidin-1-yl]-2-oxoethyl]isoindole-1,3-dione;7-chloro-6-[1-[(2S)-2,3,3-trimethylbutanoyl]piperidin-4-yl]oxy-2H-isoquinolin-1-one;hydrochloride is CC(C)(C)C(=O)N1CCC(Oc2cc3cc[nH]c(=O)c3cc2Cl)CC1.CC(C)C(=O)N1CCC(Oc2cc3cc[nH]c(=O)c3cc2Cl)CC1.CC(C)C[C@H](N)C(=O)N1CCC(Oc2cc3cc[nH]c(=O)c3cc2Cl)CC1.CCCC(=O)N1CCC(Oc2cc3cc[nH]c(=O)c3cc2Cl)CC1.CC[C@H](C)C(=O)N1CCC(Oc2cc3cc[nH]c(=O)c3cc2Cl)CC1.C[C@H](C(=O)N1CCC(Oc2cc3cc[nH]c(=O)c3cc2Cl)CC1)C(C)(C)C.Cl.O=C(CN1C(=O)c2ccccc2C1=O)N1CCC(Oc2cc3cc[nH]c(=O)c3cc2Cl)CC1.
What is the InChIKey of 6-[1-[(2S)-2-amino-4-methylpentanoyl]piperidin-4-yl]oxy-7-chloro-2H-isoquinolin-1-one;6-(1-butanoylpiperidin-4-yl)oxy-7-chloro-2H-isoquinolin-1-one;7-chloro-6-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one;7-chloro-6-[1-[(2S)-2-methylbutanoyl]piperidin-4-yl]oxy-2H-isoquinolin-1-one;7-chloro-6-[1-(2-methylpropanoyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one;2-[2-[4-[(7-chloro-1-oxo-2H-isoquinolin-6-yl)oxy]piperidin-1-yl]-2-oxoethyl]isoindole-1,3-dione;7-chloro-6-[1-[(2S)-2,3,3-trimethylbutanoyl]piperidin-4-yl]oxy-2H-isoquinolin-1-one;hydrochloride?
The InChIKey is LVJSADJFGIYONB-GZLXGWACSA-N. The full InChI is InChI=1S/C24H20ClN3O5.C21H27ClN2O3.C20H26ClN3O3.2C19H23ClN2O3.2C18H21ClN2O3.ClH/c25-19-12-18-14(5-8-26-22(18)30)11-20(19)33-15-6-9-27(10-7-15)21(29)13-28-23(31)16-3-1-2-4-17(16)24(28)32;1-13(21(2,3)4)20(26)24-9-6-15(7-10-24)27-18-11-14-5-8-23-19(25)16(14)12-17(18)22;1-12(2)9-17(22)20(26)24-7-4-14(5-8-24)27-18-10-13-3-6-23-19(25)15(13)11-16(18)21;1-19(2,3)18(24)22-8-5-13(6-9-22)25-16-10-12-4-7-21-17(23)14(12)11-15(16)20;1-3-12(2)19(24)22-8-5-14(6-9-22)25-17-10-13-4-7-21-18(23)15(13)11-16(17)20;1-11(2)18(23)21-7-4-13(5-8-21)24-16-9-12-3-6-20-17(22)14(12)10-15(16)19;1-2-3-17(22)21-8-5-13(6-9-21)24-16-10-12-4-7-20-18(23)14(12)11-15(16)19;/h1-5,8,11-12,15H,6-7,9-10,13H2,(H,26,30);5,8,11-13,15H,6-7,9-10H2,1-4H3,(H,23,25);3,6,10-12,14,17H,4-5,7-9,22H2,1-2H3,(H,23,25);4,7,10-11,13H,5-6,8-9H2,1-3H3,(H,21,23);4,7,10-12,14H,3,5-6,8-9H2,1-2H3,(H,21,23);3,6,9-11,13H,4-5,7-8H2,1-2H3,(H,20,22);4,7,10-11,13H,2-3,5-6,8-9H2,1H3,(H,20,23);1H/t;13-;17-;;12-;;;/m.10.0.../s1.
What are the key properties of 6-[1-[(2S)-2-amino-4-methylpentanoyl]piperidin-4-yl]oxy-7-chloro-2H-isoquinolin-1-one;6-(1-butanoylpiperidin-4-yl)oxy-7-chloro-2H-isoquinolin-1-one;7-chloro-6-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one;7-chloro-6-[1-[(2S)-2-methylbutanoyl]piperidin-4-yl]oxy-2H-isoquinolin-1-one;7-chloro-6-[1-(2-methylpropanoyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one;2-[2-[4-[(7-chloro-1-oxo-2H-isoquinolin-6-yl)oxy]piperidin-1-yl]-2-oxoethyl]isoindole-1,3-dione;7-chloro-6-[1-[(2S)-2,3,3-trimethylbutanoyl]piperidin-4-yl]oxy-2H-isoquinolin-1-one;hydrochloride?
6-[1-[(2S)-2-amino-4-methylpentanoyl]piperidin-4-yl]oxy-7-chloro-2H-isoquinolin-1-one;6-(1-butanoylpiperidin-4-yl)oxy-7-chloro-2H-isoquinolin-1-one;7-chloro-6-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one;7-chloro-6-[1-[(2S)-2-methylbutanoyl]piperidin-4-yl]oxy-2H-isoquinolin-1-one;7-chloro-6-[1-(2-methylpropanoyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one;2-[2-[4-[(7-chloro-1-oxo-2H-isoquinolin-6-yl)oxy]piperidin-1-yl]-2-oxoethyl]isoindole-1,3-dione;7-chloro-6-[1-[(2S)-2,3,3-trimethylbutanoyl]piperidin-4-yl]oxy-2H-isoquinolin-1-one;hydrochloride has a molecular weight of 2708.54 g/mol, XLogP of 24.18, 25 rotatable bonds, 8 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-[(2S)-2-amino-4-methylpentanoyl]piperidin-4-yl]oxy-7-chloro-2H-isoquinolin-1-one;6-(1-butanoylpiperidin-4-yl)oxy-7-chloro-2H-isoquinolin-1-one;7-chloro-6-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one;7-chloro-6-[1-[(2S)-2-methylbutanoyl]piperidin-4-yl]oxy-2H-isoquinolin-1-one;7-chloro-6-[1-(2-methylpropanoyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one;2-[2-[4-[(7-chloro-1-oxo-2H-isoquinolin-6-yl)oxy]piperidin-1-yl]-2-oxoethyl]isoindole-1,3-dione;7-chloro-6-[1-[(2S)-2,3,3-trimethylbutanoyl]piperidin-4-yl]oxy-2H-isoquinolin-1-one;hydrochloride is sourced from PubChem (CID 162003853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).