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

C126H147ClF3N11O16 — CID 157078170

IUPAC7-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
SMILESCc1c[nH]c(=O)c2cc(C(F)(F)F)c(OC3CCN(C)CC3)cc12.Cc1cc2c(=O)[nH]cc(C)c2cc1OC1CCCCC1.Cc1cc2c(=O)[nH]ccc2cc1OC1CCCNC1.Cc1cc2c(=O)[nH]ccc2cc1OC1CCN(C)CC1.O=c1[nH]ccc2cc(OC3CCCCC3)c(Cl)cc12.O=c1[nH]ccc2cc(OC3CCCCC3)ccc12.O=c1[nH]ccc2cc(OC3CCCCC3)ccc12.O=c1[nH]ccc2cc(OCC3CCCCC3)ccc12
InChIInChI=1S/C17H19F3N2O2.C17H21NO2.C16H20N2O2.C16H19NO2.C15H16ClNO2.C15H18N2O2.2C15H17NO2/c1-10-9-21-16(23)13-7-14(17(18,19)20)15(8-12(10)13)24-11-3-5-22(2)6-4-11;1-11-8-15-14(12(2)10-18-17(15)19)9-16(11)20-13-6-4-3-5-7-13;1-11-9-14-12(3-6-17-16(14)19)10-15(11)20-13-4-7-18(2)8-5-13;18-16-15-7-6-14(10-13(15)8-9-17-16)19-11-12-4-2-1-3-5-12;16-13-9-12-10(6-7-17-15(12)18)8-14(13)19-11-4-2-1-3-5-11;1-10-7-13-11(4-6-17-15(13)18)8-14(10)19-12-3-2-5-16-9-12;2*17-15-14-7-6-13(10-11(14)8-9-16-15)18-12-4-2-1-3-5-12/h7-9,11H,3-6H2,1-2H3,(H,21,23);8-10,13H,3-7H2,1-2H3,(H,18,19);3,6,9-10,13H,4-5,7-8H2,1-2H3,(H,17,19);6-10,12H,1-5,11H2,(H,17,18);6-9,11H,1-5H2,(H,17,18);4,6-8,12,16H,2-3,5,9H2,1H3,(H,17,18);2*6-10,12H,1-5H2,(H,16,17)
InChIKeyADFJYOUMXAROAP-UHFFFAOYSA-N
MW2164.07 g/mol
LogP25.32
Rot. Bonds17

About 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

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 (PubChem CID 157078170) has the molecular formula C126H147ClF3N11O16 and a molecular weight of 2164.07 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name7-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
PubChem CID157078170
Molecular FormulaC126H147ClF3N11O16
Molecular Weight2164.07 g/mol
Exact Mass2162.07
IUPAC Name7-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
SMILESCc1c[nH]c(=O)c2cc(C(F)(F)F)c(OC3CCN(C)CC3)cc12.Cc1cc2c(=O)[nH]cc(C)c2cc1OC1CCCCC1.Cc1cc2c(=O)[nH]ccc2cc1OC1CCCNC1.Cc1cc2c(=O)[nH]ccc2cc1OC1CCN(C)CC1.O=c1[nH]ccc2cc(OC3CCCCC3)c(Cl)cc12.O=c1[nH]ccc2cc(OC3CCCCC3)ccc12.O=c1[nH]ccc2cc(OC3CCCCC3)ccc12.O=c1[nH]ccc2cc(OCC3CCCCC3)ccc12
InChIInChI=1S/C17H19F3N2O2.C17H21NO2.C16H20N2O2.C16H19NO2.C15H16ClNO2.C15H18N2O2.2C15H17NO2/c1-10-9-21-16(23)13-7-14(17(18,19)20)15(8-12(10)13)24-11-3-5-22(2)6-4-11;1-11-8-15-14(12(2)10-18-17(15)19)9-16(11)20-13-6-4-3-5-7-13;1-11-9-14-12(3-6-17-16(14)19)10-15(11)20-13-4-7-18(2)8-5-13;18-16-15-7-6-14(10-13(15)8-9-17-16)19-11-12-4-2-1-3-5-12;16-13-9-12-10(6-7-17-15(12)18)8-14(13)19-11-4-2-1-3-5-11;1-10-7-13-11(4-6-17-15(13)18)8-14(10)19-12-3-2-5-16-9-12;2*17-15-14-7-6-13(10-11(14)8-9-16-15)18-12-4-2-1-3-5-12/h7-9,11H,3-6H2,1-2H3,(H,21,23);8-10,13H,3-7H2,1-2H3,(H,18,19);3,6,9-10,13H,4-5,7-8H2,1-2H3,(H,17,19);6-10,12H,1-5,11H2,(H,17,18);6-9,11H,1-5H2,(H,17,18);4,6-8,12,16H,2-3,5,9H2,1H3,(H,17,18);2*6-10,12H,1-5H2,(H,16,17)
InChIKeyADFJYOUMXAROAP-UHFFFAOYSA-N
XLogP25.32
TPSA355.23 Ų
H-Bond Donors9
H-Bond Acceptors19
Rotatable Bonds17
Heavy Atoms157
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002164.07
LogP ≤ 525.32
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1019

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl (3S)-3-[(1-oxo-2H-isoquinolin-6-yl)oxy]piperidine-1-carboxylate;6-[(3S)-piperidin-3-yl]oxy-2H-isoquinolin-1-one
CID 162245361
7-chloro-6-[4-(dicyclopropylamino)cyclohexyl]oxy-2H-isoquinolin-1-one
CID 58468127
6-[(1R,4S)-4-aminocycloheptyl]oxy-2H-isoquinolin-1-one
CID 25109597
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
5-bromo-6-piperidin-3-yloxy-2H-isoquinolin-1-one
CID 68875454
3-[2-chloro-4-[(3-chloro-4-cyclopentyloxyphenyl)methyl]phenoxy]pyrrolidine;3-[4-[(4-cyclopentyloxy-3-methylphenyl)methyl]-2-methylphenoxy]pyrrolidine;methane;1-methyl-3-[2-methyl-4-[[3-methyl-4-(1-methylpyrrolidin-3-yl)oxyphenyl]methyl]phenoxy]pyrrolidine
CID 161435196
6-[4-[amino(cyclopropyl)methyl]-4-methylcyclohexyl]oxy-7-chloro-2H-isoquinolin-1-one
CID 44598996
6-(4-aminocyclohexyl)oxy-7-chloro-2H-isoquinolin-1-one;fluorobenzene
CID 143705642
(3R)-3-[(4-chloro-3-methylphenoxy)methyl]piperidine
CID 28750104
6-(4-amino-4-methylcyclohexyl)oxy-7-methyl-2H-isoquinolin-1-one
CID 59226020
6-[1-[(3-methylphenyl)methyl]piperidin-3-yl]oxy-2H-isoquinolin-1-one
CID 67743464
6-[3-[[cyclopropylmethyl(methyl)amino]methyl]cyclopentyl]oxy-2H-isoquinolin-1-one
CID 66941580

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1c[nH]c(=O)c2cc(C(F)(F)F)c(OC3CCN(C)CC3)cc12.Cc1cc2c(=O)[nH]cc(C)c2cc1OC1CCCCC1.Cc1cc2c(=O)[nH]ccc2cc1OC1CCCNC1.Cc1cc2c(=O)[nH]ccc2cc1OC1CCN(C)CC1.O=c1[nH]ccc2cc(OC3CCCCC3)c(Cl)cc12.O=c1[nH]ccc2cc(OC3CCCCC3)ccc12.O=c1[nH]ccc2cc(OC3CCCCC3)ccc12.O=c1[nH]ccc2cc(OCC3CCCCC3)ccc12.
What is the InChIKey of 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?
The InChIKey is ADFJYOUMXAROAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F3N2O2.C17H21NO2.C16H20N2O2.C16H19NO2.C15H16ClNO2.C15H18N2O2.2C15H17NO2/c1-10-9-21-16(23)13-7-14(17(18,19)20)15(8-12(10)13)24-11-3-5-22(2)6-4-11;1-11-8-15-14(12(2)10-18-17(15)19)9-16(11)20-13-6-4-3-5-7-13;1-11-9-14-12(3-6-17-16(14)19)10-15(11)20-13-4-7-18(2)8-5-13;18-16-15-7-6-14(10-13(15)8-9-17-16)19-11-12-4-2-1-3-5-12;16-13-9-12-10(6-7-17-15(12)18)8-14(13)19-11-4-2-1-3-5-11;1-10-7-13-11(4-6-17-15(13)18)8-14(10)19-12-3-2-5-16-9-12;2*17-15-14-7-6-13(10-11(14)8-9-16-15)18-12-4-2-1-3-5-12/h7-9,11H,3-6H2,1-2H3,(H,21,23);8-10,13H,3-7H2,1-2H3,(H,18,19);3,6,9-10,13H,4-5,7-8H2,1-2H3,(H,17,19);6-10,12H,1-5,11H2,(H,17,18);6-9,11H,1-5H2,(H,17,18);4,6-8,12,16H,2-3,5,9H2,1H3,(H,17,18);2*6-10,12H,1-5H2,(H,16,17).
What are the key properties of 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?
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 has a molecular weight of 2164.07 g/mol, XLogP of 25.32, 17 rotatable bonds, 9 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 157078170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).