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

C174H196BrCl2F6N11O23 — CID 158212492

IUPAC7-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
SMILESCC(C)N1CCC(Oc2cc3c(cc2Cl)C(=O)CC=C3)CC1.COc1cc2c(=O)[nH]ccc2cc1OC1CCCCC1.Cc1c[nH]c(=O)c2cc(F)c(OC3CCCCC3)cc12.Cc1c[nH]c(=O)c2ccc(OC3CCCCC3)c(F)c12.Cc1c[nH]c(=O)c2ccc(OC3CCCCC3)cc12.Cc1cc2c(=O)[nH]ccc2cc1OC1CCCCC1.O=C1CC=Cc2cc(OC3CCNCC3)c(Cl)cc21.O=C1CC=Cc2cc(OC3CCNCC3)ccc21.O=c1[nH]ccc2cc(OC3CCCCC3)c(Br)cc12.O=c1[nH]ccc2cc(OC3CCCCC3)c(C(F)(F)F)cc12.O=c1[nH]ccc2cc(OC3CCCCC3)c(F)cc12
InChIInChI=1S/C18H22ClNO2.C16H16F3NO2.2C16H18FNO2.C16H19NO3.2C16H19NO2.C15H16BrNO2.C15H16ClNO2.C15H16FNO2.C15H17NO2/c1-12(2)20-8-6-14(7-9-20)22-18-10-13-4-3-5-17(21)15(13)11-16(18)19;17-16(18,19)13-9-12-10(6-7-20-15(12)21)8-14(13)22-11-4-2-1-3-5-11;1-10-9-18-16(19)13-7-14(17)15(8-12(10)13)20-11-5-3-2-4-6-11;1-10-9-18-16(19)12-7-8-13(15(17)14(10)12)20-11-5-3-2-4-6-11;1-19-14-10-13-11(7-8-17-16(13)18)9-15(14)20-12-5-3-2-4-6-12;1-11-10-17-16(18)14-8-7-13(9-15(11)14)19-12-5-3-2-4-6-12;1-11-9-14-12(7-8-17-16(14)18)10-15(11)19-13-5-3-2-4-6-13;16-13-9-12-10(6-7-17-15(12)18)8-14(13)19-11-4-2-1-3-5-11;16-13-9-12-10(2-1-3-14(12)18)8-15(13)19-11-4-6-17-7-5-11;16-13-9-12-10(6-7-17-15(12)18)8-14(13)19-11-4-2-1-3-5-11;17-15-3-1-2-11-10-13(4-5-14(11)15)18-12-6-8-16-9-7-12/h3-4,10-12,14H,5-9H2,1-2H3;6-9,11H,1-5H2,(H,20,21);2*7-9,11H,2-6H2,1H3,(H,18,19);7-10,12H,2-6H2,1H3,(H,17,18);7-10,12H,2-6H2,1H3,(H,17,18);7-10,13H,2-6H2,1H3,(H,17,18);6-9,11H,1-5H2,(H,17,18);1-2,8-9,11,17H,3-7H2;6-9,11H,1-5H2,(H,17,18);1-2,4-5,10,12,16H,3,6-9H2
InChIKeyGCGAJPDZOXDZFN-UHFFFAOYSA-N
MW3074.33 g/mol
LogP39.04
Rot. Bonds24

About 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

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 (PubChem CID 158212492) has the molecular formula C174H196BrCl2F6N11O23 and a molecular weight of 3074.33 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name7-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
PubChem CID158212492
Molecular FormulaC174H196BrCl2F6N11O23
Molecular Weight3074.33 g/mol
Exact Mass3070.30
IUPAC Name7-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
SMILESCC(C)N1CCC(Oc2cc3c(cc2Cl)C(=O)CC=C3)CC1.COc1cc2c(=O)[nH]ccc2cc1OC1CCCCC1.Cc1c[nH]c(=O)c2cc(F)c(OC3CCCCC3)cc12.Cc1c[nH]c(=O)c2ccc(OC3CCCCC3)c(F)c12.Cc1c[nH]c(=O)c2ccc(OC3CCCCC3)cc12.Cc1cc2c(=O)[nH]ccc2cc1OC1CCCCC1.O=C1CC=Cc2cc(OC3CCNCC3)c(Cl)cc21.O=C1CC=Cc2cc(OC3CCNCC3)ccc21.O=c1[nH]ccc2cc(OC3CCCCC3)c(Br)cc12.O=c1[nH]ccc2cc(OC3CCCCC3)c(C(F)(F)F)cc12.O=c1[nH]ccc2cc(OC3CCCCC3)c(F)cc12
InChIInChI=1S/C18H22ClNO2.C16H16F3NO2.2C16H18FNO2.C16H19NO3.2C16H19NO2.C15H16BrNO2.C15H16ClNO2.C15H16FNO2.C15H17NO2/c1-12(2)20-8-6-14(7-9-20)22-18-10-13-4-3-5-17(21)15(13)11-16(18)19;17-16(18,19)13-9-12-10(6-7-20-15(12)21)8-14(13)22-11-4-2-1-3-5-11;1-10-9-18-16(19)13-7-14(17)15(8-12(10)13)20-11-5-3-2-4-6-11;1-10-9-18-16(19)12-7-8-13(15(17)14(10)12)20-11-5-3-2-4-6-11;1-19-14-10-13-11(7-8-17-16(13)18)9-15(14)20-12-5-3-2-4-6-12;1-11-10-17-16(18)14-8-7-13(9-15(11)14)19-12-5-3-2-4-6-12;1-11-9-14-12(7-8-17-16(14)18)10-15(11)19-13-5-3-2-4-6-13;16-13-9-12-10(6-7-17-15(12)18)8-14(13)19-11-4-2-1-3-5-11;16-13-9-12-10(2-1-3-14(12)18)8-15(13)19-11-4-6-17-7-5-11;16-13-9-12-10(6-7-17-15(12)18)8-14(13)19-11-4-2-1-3-5-11;17-15-3-1-2-11-10-13(4-5-14(11)15)18-12-6-8-16-9-7-12/h3-4,10-12,14H,5-9H2,1-2H3;6-9,11H,1-5H2,(H,20,21);2*7-9,11H,2-6H2,1H3,(H,18,19);7-10,12H,2-6H2,1H3,(H,17,18);7-10,12H,2-6H2,1H3,(H,17,18);7-10,13H,2-6H2,1H3,(H,17,18);6-9,11H,1-5H2,(H,17,18);1-2,8-9,11,17H,3-7H2;6-9,11H,1-5H2,(H,17,18);1-2,4-5,10,12,16H,3,6-9H2
InChIKeyGCGAJPDZOXDZFN-UHFFFAOYSA-N
XLogP39.04
TPSA452.15 Ų
H-Bond Donors10
H-Bond Acceptors26
Rotatable Bonds24
Heavy Atoms217
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003074.33
LogP ≤ 539.04
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1026

Analyze 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 with MolForge

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Related Compounds

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-(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
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)N1CCC(Oc2cc3c(cc2Cl)C(=O)CC=C3)CC1.COc1cc2c(=O)[nH]ccc2cc1OC1CCCCC1.Cc1c[nH]c(=O)c2cc(F)c(OC3CCCCC3)cc12.Cc1c[nH]c(=O)c2ccc(OC3CCCCC3)c(F)c12.Cc1c[nH]c(=O)c2ccc(OC3CCCCC3)cc12.Cc1cc2c(=O)[nH]ccc2cc1OC1CCCCC1.O=C1CC=Cc2cc(OC3CCNCC3)c(Cl)cc21.O=C1CC=Cc2cc(OC3CCNCC3)ccc21.O=c1[nH]ccc2cc(OC3CCCCC3)c(Br)cc12.O=c1[nH]ccc2cc(OC3CCCCC3)c(C(F)(F)F)cc12.O=c1[nH]ccc2cc(OC3CCCCC3)c(F)cc12.
What is the InChIKey of 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?
The InChIKey is GCGAJPDZOXDZFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClNO2.C16H16F3NO2.2C16H18FNO2.C16H19NO3.2C16H19NO2.C15H16BrNO2.C15H16ClNO2.C15H16FNO2.C15H17NO2/c1-12(2)20-8-6-14(7-9-20)22-18-10-13-4-3-5-17(21)15(13)11-16(18)19;17-16(18,19)13-9-12-10(6-7-20-15(12)21)8-14(13)22-11-4-2-1-3-5-11;1-10-9-18-16(19)13-7-14(17)15(8-12(10)13)20-11-5-3-2-4-6-11;1-10-9-18-16(19)12-7-8-13(15(17)14(10)12)20-11-5-3-2-4-6-11;1-19-14-10-13-11(7-8-17-16(13)18)9-15(14)20-12-5-3-2-4-6-12;1-11-10-17-16(18)14-8-7-13(9-15(11)14)19-12-5-3-2-4-6-12;1-11-9-14-12(7-8-17-16(14)18)10-15(11)19-13-5-3-2-4-6-13;16-13-9-12-10(6-7-17-15(12)18)8-14(13)19-11-4-2-1-3-5-11;16-13-9-12-10(2-1-3-14(12)18)8-15(13)19-11-4-6-17-7-5-11;16-13-9-12-10(6-7-17-15(12)18)8-14(13)19-11-4-2-1-3-5-11;17-15-3-1-2-11-10-13(4-5-14(11)15)18-12-6-8-16-9-7-12/h3-4,10-12,14H,5-9H2,1-2H3;6-9,11H,1-5H2,(H,20,21);2*7-9,11H,2-6H2,1H3,(H,18,19);7-10,12H,2-6H2,1H3,(H,17,18);7-10,12H,2-6H2,1H3,(H,17,18);7-10,13H,2-6H2,1H3,(H,17,18);6-9,11H,1-5H2,(H,17,18);1-2,8-9,11,17H,3-7H2;6-9,11H,1-5H2,(H,17,18);1-2,4-5,10,12,16H,3,6-9H2.
What are the key properties of 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?
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 has a molecular weight of 3074.33 g/mol, XLogP of 39.04, 24 rotatable bonds, 10 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158212492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).