ethyl 7-[(3-chlorophenyl)methoxy]quinoline-3-carboxylate;ethyl 7-[(4-chlorophenyl)methoxy]quinoline-3-carboxylate;ethyl 7-[(3-fluorophenyl)methoxy]quinoline-3-carboxylate;ethyl 7-[(4-fluorophenyl)methoxy]quinoline-3-carboxylate;ethyl 7-[(3-methoxyphenyl)methoxy]quinoline-3-carboxylate;ethyl 7-[(3-methylphenyl)methoxy]quinoline-3-carboxylate;ethyl 7-[[3-(trifluoromethyl)phenyl]methoxy]quinoline-3-carboxylate;ethyl 7-[[4-(trifluoromethyl)phenyl]methoxy]quinoline-3-carboxylate

C156H134Cl2F8N8O25 — CID 159491929

IUPACethyl 7-[(3-chlorophenyl)methoxy]quinoline-3-carboxylate;ethyl 7-[(4-chlorophenyl)methoxy]quinoline-3-carboxylate;ethyl 7-[(3-fluorophenyl)methoxy]quinoline-3-carboxylate;ethyl 7-[(4-fluorophenyl)methoxy]quinoline-3-carboxylate;ethyl 7-[(3-methoxyphenyl)methoxy]quinoline-3-carboxylate;ethyl 7-[(3-methylphenyl)methoxy]quinoline-3-carboxylate;ethyl 7-[[3-(trifluoromethyl)phenyl]methoxy]quinoline-3-carboxylate;ethyl 7-[[4-(trifluoromethyl)phenyl]methoxy]quinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2cc(OCc3ccc(C(F)(F)F)cc3)ccc2c1.CCOC(=O)c1cnc2cc(OCc3ccc(Cl)cc3)ccc2c1.CCOC(=O)c1cnc2cc(OCc3ccc(F)cc3)ccc2c1.CCOC(=O)c1cnc2cc(OCc3cccc(C(F)(F)F)c3)ccc2c1.CCOC(=O)c1cnc2cc(OCc3cccc(C)c3)ccc2c1.CCOC(=O)c1cnc2cc(OCc3cccc(Cl)c3)ccc2c1.CCOC(=O)c1cnc2cc(OCc3cccc(F)c3)ccc2c1.CCOC(=O)c1cnc2cc(OCc3cccc(OC)c3)ccc2c1
InChIInChI=1S/2C20H16F3NO3.C20H19NO4.C20H19NO3.2C19H16ClNO3.2C19H16FNO3/c1-2-26-19(25)15-9-14-5-8-17(10-18(14)24-11-15)27-12-13-3-6-16(7-4-13)20(21,22)23;1-2-26-19(25)15-9-14-6-7-17(10-18(14)24-11-15)27-12-13-4-3-5-16(8-13)20(21,22)23;1-3-24-20(22)16-10-15-7-8-18(11-19(15)21-12-16)25-13-14-5-4-6-17(9-14)23-2;1-3-23-20(22)17-10-16-7-8-18(11-19(16)21-12-17)24-13-15-6-4-5-14(2)9-15;1-2-23-19(22)15-9-14-5-8-17(10-18(14)21-11-15)24-12-13-3-6-16(20)7-4-13;1-2-23-19(22)15-9-14-6-7-17(10-18(14)21-11-15)24-12-13-4-3-5-16(20)8-13;1-2-23-19(22)15-9-14-5-8-17(10-18(14)21-11-15)24-12-13-3-6-16(20)7-4-13;1-2-23-19(22)15-9-14-6-7-17(10-18(14)21-11-15)24-12-13-4-3-5-16(20)8-13/h2*3-11H,2,12H2,1H3;4-12H,3,13H2,1-2H3;4-12H,3,13H2,1-2H3;4*3-11H,2,12H2,1H3
InChIKeyLYHKYCPMDLBHMR-UHFFFAOYSA-N
MW2743.71 g/mol
LogP35.86
Rot. Bonds41

About ethyl 7-[(3-chlorophenyl)methoxy]quinoline-3-carboxylate;ethyl 7-[(4-chlorophenyl)methoxy]quinoline-3-carboxylate;ethyl 7-[(3-fluorophenyl)methoxy]quinoline-3-carboxylate;ethyl 7-[(4-fluorophenyl)methoxy]quinoline-3-carboxylate;ethyl 7-[(3-methoxyphenyl)methoxy]quinoline-3-carboxylate;ethyl 7-[(3-methylphenyl)methoxy]quinoline-3-carboxylate;ethyl 7-[[3-(trifluoromethyl)phenyl]methoxy]quinoline-3-carboxylate;ethyl 7-[[4-(trifluoromethyl)phenyl]methoxy]quinoline-3-carboxylate

ethyl 7-[(3-chlorophenyl)methoxy]quinoline-3-carboxylate;ethyl 7-[(4-chlorophenyl)methoxy]quinoline-3-carboxylate;ethyl 7-[(3-fluorophenyl)methoxy]quinoline-3-carboxylate;ethyl 7-[(4-fluorophenyl)methoxy]quinoline-3-carboxylate;ethyl 7-[(3-methoxyphenyl)methoxy]quinoline-3-carboxylate;ethyl 7-[(3-methylphenyl)methoxy]quinoline-3-carboxylate;ethyl 7-[[3-(trifluoromethyl)phenyl]methoxy]quinoline-3-carboxylate;ethyl 7-[[4-(trifluoromethyl)phenyl]methoxy]quinoline-3-carboxylate (PubChem CID 159491929) has the molecular formula C156H134Cl2F8N8O25 and a molecular weight of 2743.71 g/mol. Its IUPAC name is ethyl 7-[(3-chlorophenyl)methoxy]quinoline-3-carboxylate;ethyl 7-[(4-chlorophenyl)methoxy]quinoline-3-carboxylate;ethyl 7-[(3-fluorophenyl)methoxy]quinoline-3-carboxylate;ethyl 7-[(4-fluorophenyl)methoxy]quinoline-3-carboxylate;ethyl 7-[(3-methoxyphenyl)methoxy]quinoline-3-carboxylate;ethyl 7-[(3-methylphenyl)methoxy]quinoline-3-carboxylate;ethyl 7-[[3-(trifluoromethyl)phenyl]methoxy]quinoline-3-carboxylate;ethyl 7-[[4-(trifluoromethyl)phenyl]methoxy]quinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 7-[(3-chlorophenyl)methoxy]quinoline-3-carboxylate;ethyl 7-[(4-chlorophenyl)methoxy]quinoline-3-carboxylate;ethyl 7-[(3-fluorophenyl)methoxy]quinoline-3-carboxylate;ethyl 7-[(4-fluorophenyl)methoxy]quinoline-3-carboxylate;ethyl 7-[(3-methoxyphenyl)methoxy]quinoline-3-carboxylate;ethyl 7-[(3-methylphenyl)methoxy]quinoline-3-carboxylate;ethyl 7-[[3-(trifluoromethyl)phenyl]methoxy]quinoline-3-carboxylate;ethyl 7-[[4-(trifluoromethyl)phenyl]methoxy]quinoline-3-carboxylate
PubChem CID159491929
Molecular FormulaC156H134Cl2F8N8O25
Molecular Weight2743.71 g/mol
Exact Mass2740.87
IUPAC Nameethyl 7-[(3-chlorophenyl)methoxy]quinoline-3-carboxylate;ethyl 7-[(4-chlorophenyl)methoxy]quinoline-3-carboxylate;ethyl 7-[(3-fluorophenyl)methoxy]quinoline-3-carboxylate;ethyl 7-[(4-fluorophenyl)methoxy]quinoline-3-carboxylate;ethyl 7-[(3-methoxyphenyl)methoxy]quinoline-3-carboxylate;ethyl 7-[(3-methylphenyl)methoxy]quinoline-3-carboxylate;ethyl 7-[[3-(trifluoromethyl)phenyl]methoxy]quinoline-3-carboxylate;ethyl 7-[[4-(trifluoromethyl)phenyl]methoxy]quinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2cc(OCc3ccc(C(F)(F)F)cc3)ccc2c1.CCOC(=O)c1cnc2cc(OCc3ccc(Cl)cc3)ccc2c1.CCOC(=O)c1cnc2cc(OCc3ccc(F)cc3)ccc2c1.CCOC(=O)c1cnc2cc(OCc3cccc(C(F)(F)F)c3)ccc2c1.CCOC(=O)c1cnc2cc(OCc3cccc(C)c3)ccc2c1.CCOC(=O)c1cnc2cc(OCc3cccc(Cl)c3)ccc2c1.CCOC(=O)c1cnc2cc(OCc3cccc(F)c3)ccc2c1.CCOC(=O)c1cnc2cc(OCc3cccc(OC)c3)ccc2c1
InChIInChI=1S/2C20H16F3NO3.C20H19NO4.C20H19NO3.2C19H16ClNO3.2C19H16FNO3/c1-2-26-19(25)15-9-14-5-8-17(10-18(14)24-11-15)27-12-13-3-6-16(7-4-13)20(21,22)23;1-2-26-19(25)15-9-14-6-7-17(10-18(14)24-11-15)27-12-13-4-3-5-16(8-13)20(21,22)23;1-3-24-20(22)16-10-15-7-8-18(11-19(15)21-12-16)25-13-14-5-4-6-17(9-14)23-2;1-3-23-20(22)17-10-16-7-8-18(11-19(16)21-12-17)24-13-15-6-4-5-14(2)9-15;1-2-23-19(22)15-9-14-5-8-17(10-18(14)21-11-15)24-12-13-3-6-16(20)7-4-13;1-2-23-19(22)15-9-14-6-7-17(10-18(14)21-11-15)24-12-13-4-3-5-16(20)8-13;1-2-23-19(22)15-9-14-5-8-17(10-18(14)21-11-15)24-12-13-3-6-16(20)7-4-13;1-2-23-19(22)15-9-14-6-7-17(10-18(14)21-11-15)24-12-13-4-3-5-16(20)8-13/h2*3-11H,2,12H2,1H3;4-12H,3,13H2,1-2H3;4-12H,3,13H2,1-2H3;4*3-11H,2,12H2,1H3
InChIKeyLYHKYCPMDLBHMR-UHFFFAOYSA-N
XLogP35.86
TPSA396.59 Ų
H-Bond Donors
H-Bond Acceptors33
Rotatable Bonds41
Heavy Atoms199
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002743.71
LogP ≤ 535.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1033

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Analyze ethyl 7-[(3-chlorophenyl)methoxy]quinoline-3-carboxylate;ethyl 7-[(4-chlorophenyl)methoxy]quinoline-3-carboxylate;ethyl 7-[(3-fluorophenyl)methoxy]quinoline-3-carboxylate;ethyl 7-[(4-fluorophenyl)methoxy]quinoline-3-carboxylate;ethyl 7-[(3-methoxyphenyl)methoxy]quinoline-3-carboxylate;ethyl 7-[(3-methylphenyl)methoxy]quinoline-3-carboxylate;ethyl 7-[[3-(trifluoromethyl)phenyl]methoxy]quinoline-3-carboxylate;ethyl 7-[[4-(trifluoromethyl)phenyl]methoxy]quinoline-3-carboxylate with MolForge

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Related Compounds

Ethyl 7-[(3,4-difluorophenyl)methoxy]quinoline-3-carboxylate;ethyl 7-[(3,5-difluorophenyl)methoxy]quinoline-3-carboxylate;ethyl 7-[[3-fluoro-5-(trifluoromethyl)phenyl]methoxy]quinoline-3-carboxylate;ethyl 7-[[4-fluoro-3-(trifluoromethyl)phenyl]methoxy]quinoline-3-carboxylate;ethyl 7-[(3-methoxyphenyl)methoxy]quinoline-3-carboxylate;ethyl 7-[(3-methylphenyl)methoxy]quinoline-3-carboxylate
CID 157983811
(1S)-1-[1-(4-chlorophenyl)-3-methylnaphthalen-2-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;bis((1S)-1-[3-methyl-1-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)naphthalen-2-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one);bis((1S)-1-[(2-methylpropan-2-yl)oxy]-1-(3-methyl-1-quinolin-8-ylnaphthalen-2-yl)propan-2-one);(1S)-1-[(2-methylpropan-2-yl)oxy]-1-[3-methyl-1-[5-(trifluoromethyl)quinolin-8-yl]naphthalen-2-yl]propan-2-one
CID 158132135
Ethyl 7-[(3-chlorophenyl)methoxy]quinoline-3-carboxylate;ethyl 7-[(4-chlorophenyl)methoxy]quinoline-3-carboxylate;ethyl 7-[(3-fluorophenyl)methoxy]quinoline-3-carboxylate;ethyl 7-[(4-fluorophenyl)methoxy]quinoline-3-carboxylate;ethyl 7-[[3-(trifluoromethyl)phenyl]methoxy]quinoline-3-carboxylate;ethyl 7-[[4-(trifluoromethyl)phenyl]methoxy]quinoline-3-carboxylate
CID 158173062
Ethyl 7-[(3,4-difluorophenyl)methoxy]quinoline-3-carboxylate;ethyl 7-[(3,5-difluorophenyl)methoxy]quinoline-3-carboxylate;ethyl 7-[[3-fluoro-5-(trifluoromethyl)phenyl]methoxy]quinoline-3-carboxylate;ethyl 7-[[4-fluoro-3-(trifluoromethyl)phenyl]methoxy]quinoline-3-carboxylate;ethyl 7-[(3-methoxyphenyl)methoxy]quinoline-3-carboxylate;ethyl 7-[(3,4,5-trifluorophenyl)methoxy]quinoline-3-carboxylate
CID 158407849
Ethyl 7-[(3-chlorophenyl)methoxy]quinoline-3-carboxylate;ethyl 7-[(4-chlorophenyl)methoxy]quinoline-3-carboxylate;ethyl 7-[(3-fluorophenyl)methoxy]quinoline-3-carboxylate;ethyl 7-[(4-fluorophenyl)methoxy]quinoline-3-carboxylate;ethyl 7-[(3-methylphenyl)methoxy]quinoline-3-carboxylate;ethyl 7-[[3-(trifluoromethyl)phenyl]methoxy]quinoline-3-carboxylate;ethyl 7-[[4-(trifluoromethyl)phenyl]methoxy]quinoline-3-carboxylate
CID 159133003
(2R,6S)-4-[4-[8-(3-chloro-4-fluorophenyl)-4-methoxyquinolin-3-yl]phenyl]-2,6-dimethylmorpholine;2-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-5-(4-isocyanophenyl)-4-methyl-3,4-dihydroisoquinolin-1-one;2-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-5-(4-isocyanophenyl)-4-methyl-2,7-naphthyridin-1-one;(2S,6R)-4-[4-[8-(4-isocyanophenyl)-4-methoxyquinolin-3-yl]phenyl]-2,6-dimethylmorpholine;(2R,6S)-4-[4-[4-methoxy-8-(4-methylphenyl)quinolin-3-yl]phenyl]-2,6-dimethylmorpholine;(2R,6S)-4-[4-[4-methoxy-8-[4-(trifluoromethoxy)phenyl]quinolin-3-yl]phenyl]-2,6-dimethylmorpholine
CID 161222459
1-[7-[(3-Chlorophenyl)methoxy]quinolin-3-yl]propan-2-one;1-[7-[(3,4-difluorophenyl)methoxy]-1,5-naphthyridin-3-yl]propan-2-one;1-[7-[(3-fluorophenyl)methoxy]quinolin-3-yl]propan-2-one;1-[7-[(4-fluorophenyl)methoxy]quinolin-3-yl]propan-2-one;methyl 2-[7-[(3-chlorophenyl)methoxy]quinolin-3-yl]acetate;1-[7-[[6-(trifluoromethyl)-2-pyridinyl]methoxy]-1,5-naphthyridin-3-yl]propan-2-one
CID 161539183
4-Chloro-1-cyclohexylisoquinoline;5-chloro-8-cyclohexylisoquinoline;5-chloro-8-cyclohexylquinoline;1-cyclohexyl-4-fluoroisoquinoline;8-cyclohexyl-5-fluoroisoquinoline;8-cyclohexylnaphthalene-2-carboxamide;1-cyclohexyl-4-phenoxynaphthalene;1-cyclohexyl-4-phenylnaphthalene;8-cyclohexyl-5-(trifluoromethyl)isoquinoline;4-[4-[(4-fluorophenyl)methyl]naphthalen-1-yl]piperidine;8-methoxy-5-piperidin-4-ylisoquinoline-3-carboxylic acid;5-piperidin-4-yl-8-(trifluoromethyl)isoquinoline
CID 161691186
Ethyl 7-[(3-chloro-4-fluorophenyl)methoxy]quinoline-3-carboxylate;ethyl 7-[(3,4-difluorophenyl)methoxy]quinoline-3-carboxylate;ethyl 7-[(3,5-difluorophenyl)methoxy]quinoline-3-carboxylate;ethyl 7-[[3-fluoro-5-(trifluoromethyl)phenyl]methoxy]quinoline-3-carboxylate;ethyl 7-[[4-fluoro-3-(trifluoromethyl)phenyl]methoxy]quinoline-3-carboxylate;ethyl 7-[(3-nitrophenyl)methoxy]quinoline-3-carboxylate;ethyl 7-[(3,4,5-trifluorophenyl)methoxy]quinoline-3-carboxylate
CID 162047098
1-[7-[(3-Chlorophenyl)methoxy]quinolin-3-yl]propan-2-one;1-[7-[(3,4-difluorophenyl)methoxy]-1,5-naphthyridin-3-yl]propan-2-one;ethyl 2-[7-[(3-chlorophenyl)methoxy]quinolin-3-yl]acetate;ethyl 2-[7-[(4-fluorophenyl)methoxy]quinolin-3-yl]acetate;1-[7-[(3-fluorophenyl)methoxy]quinolin-3-yl]propan-2-one;1-[7-[(4-fluorophenyl)methoxy]quinolin-3-yl]propan-2-one;methyl 2-[7-[(3-chlorophenyl)methoxy]quinolin-3-yl]acetate;1-[7-[[6-(trifluoromethyl)-2-pyridinyl]methoxy]-1,5-naphthyridin-3-yl]propan-2-one
CID 162052080
3-[[4-[(1R,2R)-1-(6-chloro-8-methylquinolin-4-yl)oxy-1-(4-chlorophenyl)pentan-2-yl]benzoyl]amino]propanoic acid;3-[[4-[(1R,2R)-1-(4-chlorophenyl)-1-(7-chloroquinolin-4-yl)oxypentan-2-yl]benzoyl]amino]propanoic acid;3-[[4-[(1R,2R)-1-(4-chlorophenyl)-1-(7-methylquinolin-4-yl)oxypentan-2-yl]benzoyl]amino]propanoic acid;3-[[4-[(1R,2R)-1-(4-chlorophenyl)-1-[2-(trifluoromethyl)quinolin-4-yl]oxypentan-2-yl]benzoyl]amino]propanoic acid
CID 162140038
1-chloro-4-propan-2-ylbenzene;bis(5,8-dimethyl-6-propan-2-yl-3,4-dihydro-2H-chromene);bis(5,8-dimethyl-6-propan-2-yl-2,3-dihydrochromen-4-one);methane;6-propan-2-yl-3,4-dihydro-2H-chromene;6-propan-2-yl-2,3-dihydrochromen-4-one;bis(10-propan-2-yl-2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaene)
CID 157126173

Frequently Asked Questions

What is the IUPAC name of ethyl 7-[(3-chlorophenyl)methoxy]quinoline-3-carboxylate;ethyl 7-[(4-chlorophenyl)methoxy]quinoline-3-carboxylate;ethyl 7-[(3-fluorophenyl)methoxy]quinoline-3-carboxylate;ethyl 7-[(4-fluorophenyl)methoxy]quinoline-3-carboxylate;ethyl 7-[(3-methoxyphenyl)methoxy]quinoline-3-carboxylate;ethyl 7-[(3-methylphenyl)methoxy]quinoline-3-carboxylate;ethyl 7-[[3-(trifluoromethyl)phenyl]methoxy]quinoline-3-carboxylate;ethyl 7-[[4-(trifluoromethyl)phenyl]methoxy]quinoline-3-carboxylate?
The IUPAC name of ethyl 7-[(3-chlorophenyl)methoxy]quinoline-3-carboxylate;ethyl 7-[(4-chlorophenyl)methoxy]quinoline-3-carboxylate;ethyl 7-[(3-fluorophenyl)methoxy]quinoline-3-carboxylate;ethyl 7-[(4-fluorophenyl)methoxy]quinoline-3-carboxylate;ethyl 7-[(3-methoxyphenyl)methoxy]quinoline-3-carboxylate;ethyl 7-[(3-methylphenyl)methoxy]quinoline-3-carboxylate;ethyl 7-[[3-(trifluoromethyl)phenyl]methoxy]quinoline-3-carboxylate;ethyl 7-[[4-(trifluoromethyl)phenyl]methoxy]quinoline-3-carboxylate (CID 159491929) is ethyl 7-[(3-chlorophenyl)methoxy]quinoline-3-carboxylate;ethyl 7-[(4-chlorophenyl)methoxy]quinoline-3-carboxylate;ethyl 7-[(3-fluorophenyl)methoxy]quinoline-3-carboxylate;ethyl 7-[(4-fluorophenyl)methoxy]quinoline-3-carboxylate;ethyl 7-[(3-methoxyphenyl)methoxy]quinoline-3-carboxylate;ethyl 7-[(3-methylphenyl)methoxy]quinoline-3-carboxylate;ethyl 7-[[3-(trifluoromethyl)phenyl]methoxy]quinoline-3-carboxylate;ethyl 7-[[4-(trifluoromethyl)phenyl]methoxy]quinoline-3-carboxylate.
What is the SMILES notation for ethyl 7-[(3-chlorophenyl)methoxy]quinoline-3-carboxylate;ethyl 7-[(4-chlorophenyl)methoxy]quinoline-3-carboxylate;ethyl 7-[(3-fluorophenyl)methoxy]quinoline-3-carboxylate;ethyl 7-[(4-fluorophenyl)methoxy]quinoline-3-carboxylate;ethyl 7-[(3-methoxyphenyl)methoxy]quinoline-3-carboxylate;ethyl 7-[(3-methylphenyl)methoxy]quinoline-3-carboxylate;ethyl 7-[[3-(trifluoromethyl)phenyl]methoxy]quinoline-3-carboxylate;ethyl 7-[[4-(trifluoromethyl)phenyl]methoxy]quinoline-3-carboxylate?
The canonical SMILES for ethyl 7-[(3-chlorophenyl)methoxy]quinoline-3-carboxylate;ethyl 7-[(4-chlorophenyl)methoxy]quinoline-3-carboxylate;ethyl 7-[(3-fluorophenyl)methoxy]quinoline-3-carboxylate;ethyl 7-[(4-fluorophenyl)methoxy]quinoline-3-carboxylate;ethyl 7-[(3-methoxyphenyl)methoxy]quinoline-3-carboxylate;ethyl 7-[(3-methylphenyl)methoxy]quinoline-3-carboxylate;ethyl 7-[[3-(trifluoromethyl)phenyl]methoxy]quinoline-3-carboxylate;ethyl 7-[[4-(trifluoromethyl)phenyl]methoxy]quinoline-3-carboxylate is CCOC(=O)c1cnc2cc(OCc3ccc(C(F)(F)F)cc3)ccc2c1.CCOC(=O)c1cnc2cc(OCc3ccc(Cl)cc3)ccc2c1.CCOC(=O)c1cnc2cc(OCc3ccc(F)cc3)ccc2c1.CCOC(=O)c1cnc2cc(OCc3cccc(C(F)(F)F)c3)ccc2c1.CCOC(=O)c1cnc2cc(OCc3cccc(C)c3)ccc2c1.CCOC(=O)c1cnc2cc(OCc3cccc(Cl)c3)ccc2c1.CCOC(=O)c1cnc2cc(OCc3cccc(F)c3)ccc2c1.CCOC(=O)c1cnc2cc(OCc3cccc(OC)c3)ccc2c1.
What is the InChIKey of ethyl 7-[(3-chlorophenyl)methoxy]quinoline-3-carboxylate;ethyl 7-[(4-chlorophenyl)methoxy]quinoline-3-carboxylate;ethyl 7-[(3-fluorophenyl)methoxy]quinoline-3-carboxylate;ethyl 7-[(4-fluorophenyl)methoxy]quinoline-3-carboxylate;ethyl 7-[(3-methoxyphenyl)methoxy]quinoline-3-carboxylate;ethyl 7-[(3-methylphenyl)methoxy]quinoline-3-carboxylate;ethyl 7-[[3-(trifluoromethyl)phenyl]methoxy]quinoline-3-carboxylate;ethyl 7-[[4-(trifluoromethyl)phenyl]methoxy]quinoline-3-carboxylate?
The InChIKey is LYHKYCPMDLBHMR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C20H16F3NO3.C20H19NO4.C20H19NO3.2C19H16ClNO3.2C19H16FNO3/c1-2-26-19(25)15-9-14-5-8-17(10-18(14)24-11-15)27-12-13-3-6-16(7-4-13)20(21,22)23;1-2-26-19(25)15-9-14-6-7-17(10-18(14)24-11-15)27-12-13-4-3-5-16(8-13)20(21,22)23;1-3-24-20(22)16-10-15-7-8-18(11-19(15)21-12-16)25-13-14-5-4-6-17(9-14)23-2;1-3-23-20(22)17-10-16-7-8-18(11-19(16)21-12-17)24-13-15-6-4-5-14(2)9-15;1-2-23-19(22)15-9-14-5-8-17(10-18(14)21-11-15)24-12-13-3-6-16(20)7-4-13;1-2-23-19(22)15-9-14-6-7-17(10-18(14)21-11-15)24-12-13-4-3-5-16(20)8-13;1-2-23-19(22)15-9-14-5-8-17(10-18(14)21-11-15)24-12-13-3-6-16(20)7-4-13;1-2-23-19(22)15-9-14-6-7-17(10-18(14)21-11-15)24-12-13-4-3-5-16(20)8-13/h2*3-11H,2,12H2,1H3;4-12H,3,13H2,1-2H3;4-12H,3,13H2,1-2H3;4*3-11H,2,12H2,1H3.
What are the key properties of ethyl 7-[(3-chlorophenyl)methoxy]quinoline-3-carboxylate;ethyl 7-[(4-chlorophenyl)methoxy]quinoline-3-carboxylate;ethyl 7-[(3-fluorophenyl)methoxy]quinoline-3-carboxylate;ethyl 7-[(4-fluorophenyl)methoxy]quinoline-3-carboxylate;ethyl 7-[(3-methoxyphenyl)methoxy]quinoline-3-carboxylate;ethyl 7-[(3-methylphenyl)methoxy]quinoline-3-carboxylate;ethyl 7-[[3-(trifluoromethyl)phenyl]methoxy]quinoline-3-carboxylate;ethyl 7-[[4-(trifluoromethyl)phenyl]methoxy]quinoline-3-carboxylate?
ethyl 7-[(3-chlorophenyl)methoxy]quinoline-3-carboxylate;ethyl 7-[(4-chlorophenyl)methoxy]quinoline-3-carboxylate;ethyl 7-[(3-fluorophenyl)methoxy]quinoline-3-carboxylate;ethyl 7-[(4-fluorophenyl)methoxy]quinoline-3-carboxylate;ethyl 7-[(3-methoxyphenyl)methoxy]quinoline-3-carboxylate;ethyl 7-[(3-methylphenyl)methoxy]quinoline-3-carboxylate;ethyl 7-[[3-(trifluoromethyl)phenyl]methoxy]quinoline-3-carboxylate;ethyl 7-[[4-(trifluoromethyl)phenyl]methoxy]quinoline-3-carboxylate has a molecular weight of 2743.71 g/mol, XLogP of 35.86, 41 rotatable bonds, 0 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-[(3-chlorophenyl)methoxy]quinoline-3-carboxylate;ethyl 7-[(4-chlorophenyl)methoxy]quinoline-3-carboxylate;ethyl 7-[(3-fluorophenyl)methoxy]quinoline-3-carboxylate;ethyl 7-[(4-fluorophenyl)methoxy]quinoline-3-carboxylate;ethyl 7-[(3-methoxyphenyl)methoxy]quinoline-3-carboxylate;ethyl 7-[(3-methylphenyl)methoxy]quinoline-3-carboxylate;ethyl 7-[[3-(trifluoromethyl)phenyl]methoxy]quinoline-3-carboxylate;ethyl 7-[[4-(trifluoromethyl)phenyl]methoxy]quinoline-3-carboxylate is sourced from PubChem (CID 159491929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).