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

C115H142F2N14O15 — CID 157330074

IUPAC6-(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
SMILESCCc1c[nH]c(=O)c2ccc(OC3CCN(C)CC3)c(F)c12.CCc1c[nH]c(=O)c2ccc(OC3CCN(C)CC3)cc12.CN1CCC(Oc2ccc3c(=O)[nH]ccc3c2)CC1.COc1cc2c(=O)[nH]ccc2cc1OC1CCN(C)CC1.Cc1c[nH]c(=O)c2ccc(OC3CCN(C)CC3)c(F)c12.Cc1cc2c(=O)[nH]cc(C)c2cc1OC1CCN(C)CC1.O=c1[nH]ccc2cc(OC3CCN(C4CC4)CC3)ccc12
InChIInChI=1S/C17H21FN2O2.C17H20N2O2.2C17H22N2O2.C16H19FN2O2.C16H20N2O3.C15H18N2O2/c1-3-11-10-19-17(21)13-4-5-14(16(18)15(11)13)22-12-6-8-20(2)9-7-12;20-17-16-4-3-15(11-12(16)5-8-18-17)21-14-6-9-19(10-7-14)13-1-2-13;1-11-8-15-14(12(2)10-18-17(15)20)9-16(11)21-13-4-6-19(3)7-5-13;1-3-12-11-18-17(20)15-5-4-14(10-16(12)15)21-13-6-8-19(2)9-7-13;1-10-9-18-16(20)12-3-4-13(15(17)14(10)12)21-11-5-7-19(2)8-6-11;1-18-7-4-12(5-8-18)21-15-9-11-3-6-17-16(19)13(11)10-14(15)20-2;1-17-8-5-12(6-9-17)19-13-2-3-14-11(10-13)4-7-16-15(14)18/h4-5,10,12H,3,6-9H2,1-2H3,(H,19,21);3-5,8,11,13-14H,1-2,6-7,9-10H2,(H,18,20);8-10,13H,4-7H2,1-3H3,(H,18,20);4-5,10-11,13H,3,6-9H2,1-2H3,(H,18,20);3-4,9,11H,5-8H2,1-2H3,(H,18,20);3,6,9-10,12H,4-5,7-8H2,1-2H3,(H,17,19);2-4,7,10,12H,5-6,8-9H2,1H3,(H,16,18)
InChIKeyBFEJYZGBVIMKSS-UHFFFAOYSA-N
MW1998.48 g/mol
LogP16.88
Rot. Bonds18

About 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

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 (PubChem CID 157330074) has the molecular formula C115H142F2N14O15 and a molecular weight of 1998.48 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-(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
PubChem CID157330074
Molecular FormulaC115H142F2N14O15
Molecular Weight1998.48 g/mol
Exact Mass1997.07
IUPAC Name6-(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
SMILESCCc1c[nH]c(=O)c2ccc(OC3CCN(C)CC3)c(F)c12.CCc1c[nH]c(=O)c2ccc(OC3CCN(C)CC3)cc12.CN1CCC(Oc2ccc3c(=O)[nH]ccc3c2)CC1.COc1cc2c(=O)[nH]ccc2cc1OC1CCN(C)CC1.Cc1c[nH]c(=O)c2ccc(OC3CCN(C)CC3)c(F)c12.Cc1cc2c(=O)[nH]cc(C)c2cc1OC1CCN(C)CC1.O=c1[nH]ccc2cc(OC3CCN(C4CC4)CC3)ccc12
InChIInChI=1S/C17H21FN2O2.C17H20N2O2.2C17H22N2O2.C16H19FN2O2.C16H20N2O3.C15H18N2O2/c1-3-11-10-19-17(21)13-4-5-14(16(18)15(11)13)22-12-6-8-20(2)9-7-12;20-17-16-4-3-15(11-12(16)5-8-18-17)21-14-6-9-19(10-7-14)13-1-2-13;1-11-8-15-14(12(2)10-18-17(15)20)9-16(11)21-13-4-6-19(3)7-5-13;1-3-12-11-18-17(20)15-5-4-14(10-16(12)15)21-13-6-8-19(2)9-7-13;1-10-9-18-16(20)12-3-4-13(15(17)14(10)12)21-11-5-7-19(2)8-6-11;1-18-7-4-12(5-8-18)21-15-9-11-3-6-17-16(19)13(11)10-14(15)20-2;1-17-8-5-12(6-9-17)19-13-2-3-14-11(10-13)4-7-16-15(14)18/h4-5,10,12H,3,6-9H2,1-2H3,(H,19,21);3-5,8,11,13-14H,1-2,6-7,9-10H2,(H,18,20);8-10,13H,4-7H2,1-3H3,(H,18,20);4-5,10-11,13H,3,6-9H2,1-2H3,(H,18,20);3-4,9,11H,5-8H2,1-2H3,(H,18,20);3,6,9-10,12H,4-5,7-8H2,1-2H3,(H,17,19);2-4,7,10,12H,5-6,8-9H2,1H3,(H,16,18)
InChIKeyBFEJYZGBVIMKSS-UHFFFAOYSA-N
XLogP16.88
TPSA326.54 Ų
H-Bond Donors7
H-Bond Acceptors22
Rotatable Bonds18
Heavy Atoms146
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001998.48
LogP ≤ 516.88
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1022

Analyze 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 with MolForge

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Related Compounds

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
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
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
[4-(Difluoromethoxy)-3-methoxyphenyl]-(4-ethoxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone;(4-ethoxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-[4-(2-hydroxyethoxy)-3-methoxyphenyl]methanone;(4-ethoxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-[4-(3-hydroxypropoxy)-3-methylphenyl]methanone;(4-ethoxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-[4-methoxy-3-(trifluoromethyl)phenyl]methanone
CID 160028968
[(9aS)-6-[2,3-dimethyl-4-[4-(methylamino)butoxy]phenyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-[4-(trifluoromethyl)phenyl]methanone;bis([(9aS)-6-(2,3-dimethyl-4-propoxyphenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-[4-(trifluoromethyl)phenyl]methanone)
CID 160254658
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
4-bromo-6-cyclohexyloxy-2H-isoquinolin-1-one;6-(1-butylpiperidin-4-yl)oxy-2H-isoquinolin-1-one;6-(4-cyclohexylbutoxy)-2H-isoquinolin-1-one;6-(2-cyclohexylethoxy)-2H-isoquinolin-1-one;6-(cyclohexylmethoxy)-2H-isoquinolin-1-one;6-[1-(cyclopropylmethyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one;6-[1-(3,3-difluorobutyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one;6-(1-ethylpiperidin-4-yl)oxy-2H-isoquinolin-1-one;6-[1-(2-methylpropyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one;6-(1-propylpiperidin-4-yl)oxy-2H-isoquinolin-1-one
CID 161987140
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
3-[3-(Aminomethyl)benzoyl]-15-fluoro-24-methoxy-11,22-dioxa-3,18-diazapentacyclo[21.3.1.1~6,10~.1~12,16~.0~2,7~]nonacosa-1(27),6(29),7,9,12(28),13,15,23,25-nonaen-17-one hydrochloride
CID 169415530

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCc1c[nH]c(=O)c2ccc(OC3CCN(C)CC3)c(F)c12.CCc1c[nH]c(=O)c2ccc(OC3CCN(C)CC3)cc12.CN1CCC(Oc2ccc3c(=O)[nH]ccc3c2)CC1.COc1cc2c(=O)[nH]ccc2cc1OC1CCN(C)CC1.Cc1c[nH]c(=O)c2ccc(OC3CCN(C)CC3)c(F)c12.Cc1cc2c(=O)[nH]cc(C)c2cc1OC1CCN(C)CC1.O=c1[nH]ccc2cc(OC3CCN(C4CC4)CC3)ccc12.
What is the InChIKey of 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?
The InChIKey is BFEJYZGBVIMKSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2O2.C17H20N2O2.2C17H22N2O2.C16H19FN2O2.C16H20N2O3.C15H18N2O2/c1-3-11-10-19-17(21)13-4-5-14(16(18)15(11)13)22-12-6-8-20(2)9-7-12;20-17-16-4-3-15(11-12(16)5-8-18-17)21-14-6-9-19(10-7-14)13-1-2-13;1-11-8-15-14(12(2)10-18-17(15)20)9-16(11)21-13-4-6-19(3)7-5-13;1-3-12-11-18-17(20)15-5-4-14(10-16(12)15)21-13-6-8-19(2)9-7-13;1-10-9-18-16(20)12-3-4-13(15(17)14(10)12)21-11-5-7-19(2)8-6-11;1-18-7-4-12(5-8-18)21-15-9-11-3-6-17-16(19)13(11)10-14(15)20-2;1-17-8-5-12(6-9-17)19-13-2-3-14-11(10-13)4-7-16-15(14)18/h4-5,10,12H,3,6-9H2,1-2H3,(H,19,21);3-5,8,11,13-14H,1-2,6-7,9-10H2,(H,18,20);8-10,13H,4-7H2,1-3H3,(H,18,20);4-5,10-11,13H,3,6-9H2,1-2H3,(H,18,20);3-4,9,11H,5-8H2,1-2H3,(H,18,20);3,6,9-10,12H,4-5,7-8H2,1-2H3,(H,17,19);2-4,7,10,12H,5-6,8-9H2,1H3,(H,16,18).
What are the key properties of 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?
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 has a molecular weight of 1998.48 g/mol, XLogP of 16.88, 18 rotatable bonds, 7 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 157330074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).