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)

C131H155F5N10O16 — CID 157133472

IUPAC6-(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)
SMILESCCc1c[nH]c(=O)c2cc(F)c(OC3CCCCC3)cc12.CCc1c[nH]c(=O)c2ccc(OC3CCCCC3)c(F)c12.CCc1c[nH]c(=O)c2ccc(OC3CCCCC3)cc12.C[C@H]1CC(Oc2ccc3c(=O)[nH]ccc3c2)CCN1.C[C@H]1CC(Oc2ccc3c(=O)[nH]ccc3c2)CCN1.Cc1c[nH]c(=O)c2cc(C(F)(F)F)c(OC3CCCCC3)cc12.Cc1cc2c(=O)[nH]cc(C)c2cc1OC1CCCCC1.O=c1[nH]ccc2cc(OCC3CCCCC3)ccc12
InChIInChI=1S/C17H18F3NO2.2C17H20FNO2.2C17H21NO2.C16H19NO2.2C15H18N2O2/c1-10-9-21-16(22)13-7-14(17(18,19)20)15(8-12(10)13)23-11-5-3-2-4-6-11;1-2-11-10-19-17(20)14-8-15(18)16(9-13(11)14)21-12-6-4-3-5-7-12;1-2-11-10-19-17(20)13-8-9-14(16(18)15(11)13)21-12-6-4-3-5-7-12;1-11-8-15-14(12(2)10-18-17(15)19)9-16(11)20-13-6-4-3-5-7-13;1-2-12-11-18-17(19)15-9-8-14(10-16(12)15)20-13-6-4-3-5-7-13;18-16-15-7-6-14(10-13(15)8-9-17-16)19-11-12-4-2-1-3-5-12;2*1-10-8-13(5-7-16-10)19-12-2-3-14-11(9-12)4-6-17-15(14)18/h7-9,11H,2-6H2,1H3,(H,21,22);2*8-10,12H,2-7H2,1H3,(H,19,20);8-10,13H,3-7H2,1-2H3,(H,18,19);8-11,13H,2-7H2,1H3,(H,18,19);6-10,12H,1-5,11H2,(H,17,18);2*2-4,6,9-10,13,16H,5,7-8H2,1H3,(H,17,18)/t;;;;;;2*10-,13?/m......00/s1
InChIKeyAJIOCLDOHWCNOS-DLZALFKOSA-N
MW2220.72 g/mol
LogP27.69
Rot. Bonds20

About 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)

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) (PubChem CID 157133472) has the molecular formula C131H155F5N10O16 and a molecular weight of 2220.72 g/mol. Its IUPAC name is 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).

Molecular Properties

Compound Name6-(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)
PubChem CID157133472
Molecular FormulaC131H155F5N10O16
Molecular Weight2220.72 g/mol
Exact Mass2219.15
IUPAC Name6-(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)
SMILESCCc1c[nH]c(=O)c2cc(F)c(OC3CCCCC3)cc12.CCc1c[nH]c(=O)c2ccc(OC3CCCCC3)c(F)c12.CCc1c[nH]c(=O)c2ccc(OC3CCCCC3)cc12.C[C@H]1CC(Oc2ccc3c(=O)[nH]ccc3c2)CCN1.C[C@H]1CC(Oc2ccc3c(=O)[nH]ccc3c2)CCN1.Cc1c[nH]c(=O)c2cc(C(F)(F)F)c(OC3CCCCC3)cc12.Cc1cc2c(=O)[nH]cc(C)c2cc1OC1CCCCC1.O=c1[nH]ccc2cc(OCC3CCCCC3)ccc12
InChIInChI=1S/C17H18F3NO2.2C17H20FNO2.2C17H21NO2.C16H19NO2.2C15H18N2O2/c1-10-9-21-16(22)13-7-14(17(18,19)20)15(8-12(10)13)23-11-5-3-2-4-6-11;1-2-11-10-19-17(20)14-8-15(18)16(9-13(11)14)21-12-6-4-3-5-7-12;1-2-11-10-19-17(20)13-8-9-14(16(18)15(11)13)21-12-6-4-3-5-7-12;1-11-8-15-14(12(2)10-18-17(15)19)9-16(11)20-13-6-4-3-5-7-13;1-2-12-11-18-17(19)15-9-8-14(10-16(12)15)20-13-6-4-3-5-7-13;18-16-15-7-6-14(10-13(15)8-9-17-16)19-11-12-4-2-1-3-5-12;2*1-10-8-13(5-7-16-10)19-12-2-3-14-11(9-12)4-6-17-15(14)18/h7-9,11H,2-6H2,1H3,(H,21,22);2*8-10,12H,2-7H2,1H3,(H,19,20);8-10,13H,3-7H2,1-2H3,(H,18,19);8-11,13H,2-7H2,1H3,(H,18,19);6-10,12H,1-5,11H2,(H,17,18);2*2-4,6,9-10,13,16H,5,7-8H2,1H3,(H,17,18)/t;;;;;;2*10-,13?/m......00/s1
InChIKeyAJIOCLDOHWCNOS-DLZALFKOSA-N
XLogP27.69
TPSA360.78 Ų
H-Bond Donors10
H-Bond Acceptors18
Rotatable Bonds20
Heavy Atoms162
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002220.72
LogP ≤ 527.69
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1018

Analyze 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) with MolForge

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Related Compounds

4-methoxy-3-(3-methoxyphenyl)-N-[4-(4-piperidin-4-yloxyphenyl)cyclohexyl]benzamide
CID 145962751
4-methoxy-N-[4-[4-(1-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)piperidin-1-yl]butyl]-3-[4-(trifluoromethyl)phenyl]benzamide
CID 44532781
N-[4-[4-(1-phenylmethoxy-5,6,7,8-tetrahydronaphthalen-2-yl)-3,6-dihydro-2H-pyridin-1-yl]butyl]-4-[4-(trifluoromethyl)phenyl]benzamide
CID 44532834
N-[(1R)-1-[1-(2,2-difluoroethyl)piperidin-4-yl]ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide
CID 155214009
N-[(1R)-1-[1-(2-fluoroethyl)piperidin-4-yl]ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide
CID 155214113
N-[(1R)-1-piperidin-4-ylethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide
CID 155214284
4-methoxy-3-(3-methoxyphenyl)-N-[2-[4-(1-methylpiperidin-4-yl)oxy-2-[3-(trifluoromethyl)phenyl]phenyl]ethyl]benzamide
CID 118705877
N-[2-[2-(3-fluorophenyl)-4-(1-methylpiperidin-4-yl)oxyphenyl]ethyl]-4-methoxy-3-(3-methoxyphenyl)benzamide
CID 118705879
4-methoxy-3-(3-methoxyphenyl)-N-[2-[4-(1-methylpiperidin-4-yl)oxy-2-phenylphenyl]ethyl]benzamide
CID 118705881
4-methoxy-N-[2-[4-(1-methylpiperidin-4-yl)oxy-2-[3-(trifluoromethyl)phenyl]phenyl]ethyl]benzamide
CID 118705883
N-[2-[2-(3-fluorophenyl)-5-methyl-4-(1-methylpiperidin-4-yl)oxyphenyl]ethyl]-4-methoxy-3-(3-methoxyphenyl)benzamide
CID 145967872
4-methoxy-3-(3-methoxyphenyl)-N-[2-[2-(3-methoxyphenyl)-4-(1-methylpiperidin-4-yl)oxyphenyl]ethyl]benzamide
CID 118705880

Frequently Asked Questions

What is the IUPAC name of 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)?
The IUPAC name of 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) is 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).
What is the SMILES notation for 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)?
The canonical SMILES for 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) is CCc1c[nH]c(=O)c2cc(F)c(OC3CCCCC3)cc12.CCc1c[nH]c(=O)c2ccc(OC3CCCCC3)c(F)c12.CCc1c[nH]c(=O)c2ccc(OC3CCCCC3)cc12.C[C@H]1CC(Oc2ccc3c(=O)[nH]ccc3c2)CCN1.C[C@H]1CC(Oc2ccc3c(=O)[nH]ccc3c2)CCN1.Cc1c[nH]c(=O)c2cc(C(F)(F)F)c(OC3CCCCC3)cc12.Cc1cc2c(=O)[nH]cc(C)c2cc1OC1CCCCC1.O=c1[nH]ccc2cc(OCC3CCCCC3)ccc12.
What is the InChIKey of 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)?
The InChIKey is AJIOCLDOHWCNOS-DLZALFKOSA-N. The full InChI is InChI=1S/C17H18F3NO2.2C17H20FNO2.2C17H21NO2.C16H19NO2.2C15H18N2O2/c1-10-9-21-16(22)13-7-14(17(18,19)20)15(8-12(10)13)23-11-5-3-2-4-6-11;1-2-11-10-19-17(20)14-8-15(18)16(9-13(11)14)21-12-6-4-3-5-7-12;1-2-11-10-19-17(20)13-8-9-14(16(18)15(11)13)21-12-6-4-3-5-7-12;1-11-8-15-14(12(2)10-18-17(15)19)9-16(11)20-13-6-4-3-5-7-13;1-2-12-11-18-17(19)15-9-8-14(10-16(12)15)20-13-6-4-3-5-7-13;18-16-15-7-6-14(10-13(15)8-9-17-16)19-11-12-4-2-1-3-5-12;2*1-10-8-13(5-7-16-10)19-12-2-3-14-11(9-12)4-6-17-15(14)18/h7-9,11H,2-6H2,1H3,(H,21,22);2*8-10,12H,2-7H2,1H3,(H,19,20);8-10,13H,3-7H2,1-2H3,(H,18,19);8-11,13H,2-7H2,1H3,(H,18,19);6-10,12H,1-5,11H2,(H,17,18);2*2-4,6,9-10,13,16H,5,7-8H2,1H3,(H,17,18)/t;;;;;;2*10-,13?/m......00/s1.
What are the key properties of 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)?
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) has a molecular weight of 2220.72 g/mol, XLogP of 27.69, 20 rotatable bonds, 10 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 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) is sourced from PubChem (CID 157133472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).