bis(methyl (2S)-3-[5-(2-chloro-4-fluoro-6-methoxyphenyl)quinolin-8-yl]-2-[(2,6-dichlorobenzoyl)amino]propanoate);methyl (2S)-3-[5-(5-chloro-4-fluoro-2-methoxyphenyl)quinolin-8-yl]-2-[(2,6-dichlorobenzoyl)amino]propanoate;methyl (2S)-3-[5-[3-chloro-4-(trifluoromethyl)-2-pyridinyl]quinolin-8-yl]-2-[(2,6-dichlorobenzoyl)amino]propanoate;methyl (2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[5-[4,5-difluoro-2-(trideuteriomethoxy)phenyl]quinolin-8-yl]propanoate;methyl (2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[5-(4-fluoro-2-methoxy-5-methylphenyl)quinolin-8-yl]propanoate;bis(methyl (2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[5-[4-fluoro-2-methoxy-6-(trifluoromethyl)phenyl]quinolin-8-yl]propanoate)

C218H160Cl20F17N17O31 — CID 159058970

IUPACbis(methyl (2S)-3-[5-(2-chloro-4-fluoro-6-methoxyphenyl)quinolin-8-yl]-2-[(2,6-dichlorobenzoyl)amino]propanoate);methyl (2S)-3-[5-(5-chloro-4-fluoro-2-methoxyphenyl)quinolin-8-yl]-2-[(2,6-dichlorobenzoyl)amino]propanoate;methyl (2S)-3-[5-[3-chloro-4-(trifluoromethyl)-2-pyridinyl]quinolin-8-yl]-2-[(2,6-dichlorobenzoyl)amino]propanoate;methyl (2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[5-[4,5-difluoro-2-(trideuteriomethoxy)phenyl]quinolin-8-yl]propanoate;methyl (2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[5-(4-fluoro-2-methoxy-5-methylphenyl)quinolin-8-yl]propanoate;bis(methyl (2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[5-[4-fluoro-2-methoxy-6-(trifluoromethyl)phenyl]quinolin-8-yl]propanoate)
SMILESCOC(=O)[C@H](Cc1ccc(-c2c(Cl)cc(F)cc2OC)c2cccnc12)NC(=O)c1c(Cl)cccc1Cl.COC(=O)[C@H](Cc1ccc(-c2c(Cl)cc(F)cc2OC)c2cccnc12)NC(=O)c1c(Cl)cccc1Cl.COC(=O)[C@H](Cc1ccc(-c2c(OC)cc(F)cc2C(F)(F)F)c2cccnc12)NC(=O)c1c(Cl)cccc1Cl.COC(=O)[C@H](Cc1ccc(-c2c(OC)cc(F)cc2C(F)(F)F)c2cccnc12)NC(=O)c1c(Cl)cccc1Cl.COC(=O)[C@H](Cc1ccc(-c2cc(C)c(F)cc2OC)c2cccnc12)NC(=O)c1c(Cl)cccc1Cl.COC(=O)[C@H](Cc1ccc(-c2cc(Cl)c(F)cc2OC)c2cccnc12)NC(=O)c1c(Cl)cccc1Cl.COC(=O)[C@H](Cc1ccc(-c2nccc(C(F)(F)F)c2Cl)c2cccnc12)NC(=O)c1c(Cl)cccc1Cl.[2H]C([2H])([2H])Oc1cc(F)c(F)cc1-c1ccc(C[C@H](NC(=O)c2c(Cl)cccc2Cl)C(=O)OC)c2ncccc12
InChIInChI=1S/2C28H20Cl2F4N2O4.C28H23Cl2FN2O4.3C27H20Cl3FN2O4.C27H20Cl2F2N2O4.C26H17Cl3F3N3O3/c2*1-39-22-13-15(31)12-18(28(32,33)34)23(22)16-9-8-14(25-17(16)5-4-10-35-25)11-21(27(38)40-2)36-26(37)24-19(29)6-3-7-20(24)30;1-15-12-19(24(36-2)14-22(15)31)17-10-9-16(26-18(17)6-5-11-32-26)13-23(28(35)37-3)33-27(34)25-20(29)7-4-8-21(25)30;2*1-36-22-13-15(31)12-20(30)23(22)16-9-8-14(25-17(16)5-4-10-32-25)11-21(27(35)37-2)33-26(34)24-18(28)6-3-7-19(24)29;2*1-36-23-13-21(31)20(30)12-17(23)15-9-8-14(25-16(15)5-4-10-32-25)11-22(27(35)37-2)33-26(34)24-18(28)6-3-7-19(24)29;1-38-25(37)19(35-24(36)20-17(27)5-2-6-18(20)28)12-13-7-8-15(14-4-3-10-33-22(13)14)23-21(29)16(9-11-34-23)26(30,31)32/h2*3-10,12-13,21H,11H2,1-2H3,(H,36,37);4-12,14,23H,13H2,1-3H3,(H,33,34);2*3-10,12-13,21H,11H2,1-2H3,(H,33,34);2*3-10,12-13,22H,11H2,1-2H3,(H,33,34);2-11,19H,12H2,1H3,(H,35,36)/t2*21-;23-;2*21-;2*22-;19-/m00000000/s1/i;;;;;;1D3;
InChIKeyJYFHCKKXXQMLMG-KHVRACSYSA-N
MW4548.81 g/mol
LogP52.33
Rot. Bonds56

About bis(methyl (2S)-3-[5-(2-chloro-4-fluoro-6-methoxyphenyl)quinolin-8-yl]-2-[(2,6-dichlorobenzoyl)amino]propanoate);methyl (2S)-3-[5-(5-chloro-4-fluoro-2-methoxyphenyl)quinolin-8-yl]-2-[(2,6-dichlorobenzoyl)amino]propanoate;methyl (2S)-3-[5-[3-chloro-4-(trifluoromethyl)-2-pyridinyl]quinolin-8-yl]-2-[(2,6-dichlorobenzoyl)amino]propanoate;methyl (2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[5-[4,5-difluoro-2-(trideuteriomethoxy)phenyl]quinolin-8-yl]propanoate;methyl (2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[5-(4-fluoro-2-methoxy-5-methylphenyl)quinolin-8-yl]propanoate;bis(methyl (2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[5-[4-fluoro-2-methoxy-6-(trifluoromethyl)phenyl]quinolin-8-yl]propanoate)

bis(methyl (2S)-3-[5-(2-chloro-4-fluoro-6-methoxyphenyl)quinolin-8-yl]-2-[(2,6-dichlorobenzoyl)amino]propanoate);methyl (2S)-3-[5-(5-chloro-4-fluoro-2-methoxyphenyl)quinolin-8-yl]-2-[(2,6-dichlorobenzoyl)amino]propanoate;methyl (2S)-3-[5-[3-chloro-4-(trifluoromethyl)-2-pyridinyl]quinolin-8-yl]-2-[(2,6-dichlorobenzoyl)amino]propanoate;methyl (2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[5-[4,5-difluoro-2-(trideuteriomethoxy)phenyl]quinolin-8-yl]propanoate;methyl (2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[5-(4-fluoro-2-methoxy-5-methylphenyl)quinolin-8-yl]propanoate;bis(methyl (2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[5-[4-fluoro-2-methoxy-6-(trifluoromethyl)phenyl]quinolin-8-yl]propanoate) (PubChem CID 159058970) has the molecular formula C218H160Cl20F17N17O31 and a molecular weight of 4548.81 g/mol. Its IUPAC name is bis(methyl (2S)-3-[5-(2-chloro-4-fluoro-6-methoxyphenyl)quinolin-8-yl]-2-[(2,6-dichlorobenzoyl)amino]propanoate);methyl (2S)-3-[5-(5-chloro-4-fluoro-2-methoxyphenyl)quinolin-8-yl]-2-[(2,6-dichlorobenzoyl)amino]propanoate;methyl (2S)-3-[5-[3-chloro-4-(trifluoromethyl)-2-pyridinyl]quinolin-8-yl]-2-[(2,6-dichlorobenzoyl)amino]propanoate;methyl (2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[5-[4,5-difluoro-2-(trideuteriomethoxy)phenyl]quinolin-8-yl]propanoate;methyl (2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[5-(4-fluoro-2-methoxy-5-methylphenyl)quinolin-8-yl]propanoate;bis(methyl (2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[5-[4-fluoro-2-methoxy-6-(trifluoromethyl)phenyl]quinolin-8-yl]propanoate).

Molecular Properties

Compound Namebis(methyl (2S)-3-[5-(2-chloro-4-fluoro-6-methoxyphenyl)quinolin-8-yl]-2-[(2,6-dichlorobenzoyl)amino]propanoate);methyl (2S)-3-[5-(5-chloro-4-fluoro-2-methoxyphenyl)quinolin-8-yl]-2-[(2,6-dichlorobenzoyl)amino]propanoate;methyl (2S)-3-[5-[3-chloro-4-(trifluoromethyl)-2-pyridinyl]quinolin-8-yl]-2-[(2,6-dichlorobenzoyl)amino]propanoate;methyl (2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[5-[4,5-difluoro-2-(trideuteriomethoxy)phenyl]quinolin-8-yl]propanoate;methyl (2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[5-(4-fluoro-2-methoxy-5-methylphenyl)quinolin-8-yl]propanoate;bis(methyl (2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[5-[4-fluoro-2-methoxy-6-(trifluoromethyl)phenyl]quinolin-8-yl]propanoate)
PubChem CID159058970
Molecular FormulaC218H160Cl20F17N17O31
Molecular Weight4548.81 g/mol
Exact Mass4536.52
IUPAC Namebis(methyl (2S)-3-[5-(2-chloro-4-fluoro-6-methoxyphenyl)quinolin-8-yl]-2-[(2,6-dichlorobenzoyl)amino]propanoate);methyl (2S)-3-[5-(5-chloro-4-fluoro-2-methoxyphenyl)quinolin-8-yl]-2-[(2,6-dichlorobenzoyl)amino]propanoate;methyl (2S)-3-[5-[3-chloro-4-(trifluoromethyl)-2-pyridinyl]quinolin-8-yl]-2-[(2,6-dichlorobenzoyl)amino]propanoate;methyl (2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[5-[4,5-difluoro-2-(trideuteriomethoxy)phenyl]quinolin-8-yl]propanoate;methyl (2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[5-(4-fluoro-2-methoxy-5-methylphenyl)quinolin-8-yl]propanoate;bis(methyl (2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[5-[4-fluoro-2-methoxy-6-(trifluoromethyl)phenyl]quinolin-8-yl]propanoate)
SMILESCOC(=O)[C@H](Cc1ccc(-c2c(Cl)cc(F)cc2OC)c2cccnc12)NC(=O)c1c(Cl)cccc1Cl.COC(=O)[C@H](Cc1ccc(-c2c(Cl)cc(F)cc2OC)c2cccnc12)NC(=O)c1c(Cl)cccc1Cl.COC(=O)[C@H](Cc1ccc(-c2c(OC)cc(F)cc2C(F)(F)F)c2cccnc12)NC(=O)c1c(Cl)cccc1Cl.COC(=O)[C@H](Cc1ccc(-c2c(OC)cc(F)cc2C(F)(F)F)c2cccnc12)NC(=O)c1c(Cl)cccc1Cl.COC(=O)[C@H](Cc1ccc(-c2cc(C)c(F)cc2OC)c2cccnc12)NC(=O)c1c(Cl)cccc1Cl.COC(=O)[C@H](Cc1ccc(-c2cc(Cl)c(F)cc2OC)c2cccnc12)NC(=O)c1c(Cl)cccc1Cl.COC(=O)[C@H](Cc1ccc(-c2nccc(C(F)(F)F)c2Cl)c2cccnc12)NC(=O)c1c(Cl)cccc1Cl.[2H]C([2H])([2H])Oc1cc(F)c(F)cc1-c1ccc(C[C@H](NC(=O)c2c(Cl)cccc2Cl)C(=O)OC)c2ncccc12
InChIInChI=1S/2C28H20Cl2F4N2O4.C28H23Cl2FN2O4.3C27H20Cl3FN2O4.C27H20Cl2F2N2O4.C26H17Cl3F3N3O3/c2*1-39-22-13-15(31)12-18(28(32,33)34)23(22)16-9-8-14(25-17(16)5-4-10-35-25)11-21(27(38)40-2)36-26(37)24-19(29)6-3-7-20(24)30;1-15-12-19(24(36-2)14-22(15)31)17-10-9-16(26-18(17)6-5-11-32-26)13-23(28(35)37-3)33-27(34)25-20(29)7-4-8-21(25)30;2*1-36-22-13-15(31)12-20(30)23(22)16-9-8-14(25-17(16)5-4-10-32-25)11-21(27(35)37-2)33-26(34)24-18(28)6-3-7-19(24)29;2*1-36-23-13-21(31)20(30)12-17(23)15-9-8-14(25-16(15)5-4-10-32-25)11-22(27(35)37-2)33-26(34)24-18(28)6-3-7-19(24)29;1-38-25(37)19(35-24(36)20-17(27)5-2-6-18(20)28)12-13-7-8-15(14-4-3-10-33-22(13)14)23-21(29)16(9-11-34-23)26(30,31)32/h2*3-10,12-13,21H,11H2,1-2H3,(H,36,37);4-12,14,23H,13H2,1-3H3,(H,33,34);2*3-10,12-13,21H,11H2,1-2H3,(H,33,34);2*3-10,12-13,22H,11H2,1-2H3,(H,33,34);2-11,19H,12H2,1H3,(H,35,36)/t2*21-;23-;2*21-;2*22-;19-/m00000000/s1/i;;;;;;1D3;
InChIKeyJYFHCKKXXQMLMG-KHVRACSYSA-N
XLogP52.33
TPSA623.82 Ų
H-Bond Donors8
H-Bond Acceptors40
Rotatable Bonds56
Heavy Atoms303
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004548.81
LogP ≤ 552.33
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1040

Analyze bis(methyl (2S)-3-[5-(2-chloro-4-fluoro-6-methoxyphenyl)quinolin-8-yl]-2-[(2,6-dichlorobenzoyl)amino]propanoate);methyl (2S)-3-[5-(5-chloro-4-fluoro-2-methoxyphenyl)quinolin-8-yl]-2-[(2,6-dichlorobenzoyl)amino]propanoate;methyl (2S)-3-[5-[3-chloro-4-(trifluoromethyl)-2-pyridinyl]quinolin-8-yl]-2-[(2,6-dichlorobenzoyl)amino]propanoate;methyl (2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[5-[4,5-difluoro-2-(trideuteriomethoxy)phenyl]quinolin-8-yl]propanoate;methyl (2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[5-(4-fluoro-2-methoxy-5-methylphenyl)quinolin-8-yl]propanoate;bis(methyl (2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[5-[4-fluoro-2-methoxy-6-(trifluoromethyl)phenyl]quinolin-8-yl]propanoate) with MolForge

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Related Compounds

(2S)-3-[4-chloro-5-(4,5-difluoro-2-methoxyphenyl)quinolin-8-yl]-2-[(2,6-dichlorobenzoyl)amino]propanoic acid
CID 146584313
3-[4-Chloro-5-(4,5-difluoro-2-methoxyphenyl)quinolin-8-yl]-2-[(2,6-dichlorobenzoyl)amino]propanoic acid
CID 146584318
(2S)-3-[5-(5-chloro-4-fluoro-2-methoxyphenyl)quinolin-8-yl]-2-[(2,6-dichlorobenzoyl)amino]propanoic acid
CID 146584470
3-[5-(5-Chloro-4-fluoro-2-methoxyphenyl)quinolin-8-yl]-2-[(2,6-dichlorobenzoyl)amino]propanoic acid
CID 146584471
(2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[5-(4,5-difluoro-2-methoxyphenyl)-4-methylquinolin-8-yl]propanoic acid
CID 146584778
2-[(2,6-Dichlorobenzoyl)amino]-3-[5-(4,5-difluoro-2-methoxyphenyl)-4-methylquinolin-8-yl]propanoic acid
CID 146584780
(2S)-3-[5-(2-chloro-4-fluoro-6-methoxyphenyl)quinolin-8-yl]-2-[(2,6-dichlorobenzoyl)amino]propanoic acid
CID 146584796
3-[5-(2-Chloro-4-fluoro-6-methoxyphenyl)quinolin-8-yl]-2-[(2,6-dichlorobenzoyl)amino]propanoic acid
CID 146584799
(2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[5-[4-fluoro-2-methoxy-6-(trifluoromethyl)phenyl]quinolin-8-yl]propanoic acid
CID 146584858
2-[(2,6-Dichlorobenzoyl)amino]-3-[5-[4-fluoro-2-methoxy-6-(trifluoromethyl)phenyl]quinolin-8-yl]propanoic acid
CID 146584863
(2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[5-(3,5-difluoro-2-methoxyphenyl)quinolin-8-yl]propanoic acid
CID 146584980
2-[(2,6-Dichlorobenzoyl)amino]-3-[5-(3,5-difluoro-2-methoxyphenyl)quinolin-8-yl]propanoic acid
CID 146584982

Frequently Asked Questions

What is the IUPAC name of bis(methyl (2S)-3-[5-(2-chloro-4-fluoro-6-methoxyphenyl)quinolin-8-yl]-2-[(2,6-dichlorobenzoyl)amino]propanoate);methyl (2S)-3-[5-(5-chloro-4-fluoro-2-methoxyphenyl)quinolin-8-yl]-2-[(2,6-dichlorobenzoyl)amino]propanoate;methyl (2S)-3-[5-[3-chloro-4-(trifluoromethyl)-2-pyridinyl]quinolin-8-yl]-2-[(2,6-dichlorobenzoyl)amino]propanoate;methyl (2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[5-[4,5-difluoro-2-(trideuteriomethoxy)phenyl]quinolin-8-yl]propanoate;methyl (2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[5-(4-fluoro-2-methoxy-5-methylphenyl)quinolin-8-yl]propanoate;bis(methyl (2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[5-[4-fluoro-2-methoxy-6-(trifluoromethyl)phenyl]quinolin-8-yl]propanoate)?
The IUPAC name of bis(methyl (2S)-3-[5-(2-chloro-4-fluoro-6-methoxyphenyl)quinolin-8-yl]-2-[(2,6-dichlorobenzoyl)amino]propanoate);methyl (2S)-3-[5-(5-chloro-4-fluoro-2-methoxyphenyl)quinolin-8-yl]-2-[(2,6-dichlorobenzoyl)amino]propanoate;methyl (2S)-3-[5-[3-chloro-4-(trifluoromethyl)-2-pyridinyl]quinolin-8-yl]-2-[(2,6-dichlorobenzoyl)amino]propanoate;methyl (2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[5-[4,5-difluoro-2-(trideuteriomethoxy)phenyl]quinolin-8-yl]propanoate;methyl (2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[5-(4-fluoro-2-methoxy-5-methylphenyl)quinolin-8-yl]propanoate;bis(methyl (2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[5-[4-fluoro-2-methoxy-6-(trifluoromethyl)phenyl]quinolin-8-yl]propanoate) (CID 159058970) is bis(methyl (2S)-3-[5-(2-chloro-4-fluoro-6-methoxyphenyl)quinolin-8-yl]-2-[(2,6-dichlorobenzoyl)amino]propanoate);methyl (2S)-3-[5-(5-chloro-4-fluoro-2-methoxyphenyl)quinolin-8-yl]-2-[(2,6-dichlorobenzoyl)amino]propanoate;methyl (2S)-3-[5-[3-chloro-4-(trifluoromethyl)-2-pyridinyl]quinolin-8-yl]-2-[(2,6-dichlorobenzoyl)amino]propanoate;methyl (2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[5-[4,5-difluoro-2-(trideuteriomethoxy)phenyl]quinolin-8-yl]propanoate;methyl (2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[5-(4-fluoro-2-methoxy-5-methylphenyl)quinolin-8-yl]propanoate;bis(methyl (2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[5-[4-fluoro-2-methoxy-6-(trifluoromethyl)phenyl]quinolin-8-yl]propanoate).
What is the SMILES notation for bis(methyl (2S)-3-[5-(2-chloro-4-fluoro-6-methoxyphenyl)quinolin-8-yl]-2-[(2,6-dichlorobenzoyl)amino]propanoate);methyl (2S)-3-[5-(5-chloro-4-fluoro-2-methoxyphenyl)quinolin-8-yl]-2-[(2,6-dichlorobenzoyl)amino]propanoate;methyl (2S)-3-[5-[3-chloro-4-(trifluoromethyl)-2-pyridinyl]quinolin-8-yl]-2-[(2,6-dichlorobenzoyl)amino]propanoate;methyl (2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[5-[4,5-difluoro-2-(trideuteriomethoxy)phenyl]quinolin-8-yl]propanoate;methyl (2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[5-(4-fluoro-2-methoxy-5-methylphenyl)quinolin-8-yl]propanoate;bis(methyl (2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[5-[4-fluoro-2-methoxy-6-(trifluoromethyl)phenyl]quinolin-8-yl]propanoate)?
The canonical SMILES for bis(methyl (2S)-3-[5-(2-chloro-4-fluoro-6-methoxyphenyl)quinolin-8-yl]-2-[(2,6-dichlorobenzoyl)amino]propanoate);methyl (2S)-3-[5-(5-chloro-4-fluoro-2-methoxyphenyl)quinolin-8-yl]-2-[(2,6-dichlorobenzoyl)amino]propanoate;methyl (2S)-3-[5-[3-chloro-4-(trifluoromethyl)-2-pyridinyl]quinolin-8-yl]-2-[(2,6-dichlorobenzoyl)amino]propanoate;methyl (2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[5-[4,5-difluoro-2-(trideuteriomethoxy)phenyl]quinolin-8-yl]propanoate;methyl (2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[5-(4-fluoro-2-methoxy-5-methylphenyl)quinolin-8-yl]propanoate;bis(methyl (2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[5-[4-fluoro-2-methoxy-6-(trifluoromethyl)phenyl]quinolin-8-yl]propanoate) is COC(=O)[C@H](Cc1ccc(-c2c(Cl)cc(F)cc2OC)c2cccnc12)NC(=O)c1c(Cl)cccc1Cl.COC(=O)[C@H](Cc1ccc(-c2c(Cl)cc(F)cc2OC)c2cccnc12)NC(=O)c1c(Cl)cccc1Cl.COC(=O)[C@H](Cc1ccc(-c2c(OC)cc(F)cc2C(F)(F)F)c2cccnc12)NC(=O)c1c(Cl)cccc1Cl.COC(=O)[C@H](Cc1ccc(-c2c(OC)cc(F)cc2C(F)(F)F)c2cccnc12)NC(=O)c1c(Cl)cccc1Cl.COC(=O)[C@H](Cc1ccc(-c2cc(C)c(F)cc2OC)c2cccnc12)NC(=O)c1c(Cl)cccc1Cl.COC(=O)[C@H](Cc1ccc(-c2cc(Cl)c(F)cc2OC)c2cccnc12)NC(=O)c1c(Cl)cccc1Cl.COC(=O)[C@H](Cc1ccc(-c2nccc(C(F)(F)F)c2Cl)c2cccnc12)NC(=O)c1c(Cl)cccc1Cl.[2H]C([2H])([2H])Oc1cc(F)c(F)cc1-c1ccc(C[C@H](NC(=O)c2c(Cl)cccc2Cl)C(=O)OC)c2ncccc12.
What is the InChIKey of bis(methyl (2S)-3-[5-(2-chloro-4-fluoro-6-methoxyphenyl)quinolin-8-yl]-2-[(2,6-dichlorobenzoyl)amino]propanoate);methyl (2S)-3-[5-(5-chloro-4-fluoro-2-methoxyphenyl)quinolin-8-yl]-2-[(2,6-dichlorobenzoyl)amino]propanoate;methyl (2S)-3-[5-[3-chloro-4-(trifluoromethyl)-2-pyridinyl]quinolin-8-yl]-2-[(2,6-dichlorobenzoyl)amino]propanoate;methyl (2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[5-[4,5-difluoro-2-(trideuteriomethoxy)phenyl]quinolin-8-yl]propanoate;methyl (2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[5-(4-fluoro-2-methoxy-5-methylphenyl)quinolin-8-yl]propanoate;bis(methyl (2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[5-[4-fluoro-2-methoxy-6-(trifluoromethyl)phenyl]quinolin-8-yl]propanoate)?
The InChIKey is JYFHCKKXXQMLMG-KHVRACSYSA-N. The full InChI is InChI=1S/2C28H20Cl2F4N2O4.C28H23Cl2FN2O4.3C27H20Cl3FN2O4.C27H20Cl2F2N2O4.C26H17Cl3F3N3O3/c2*1-39-22-13-15(31)12-18(28(32,33)34)23(22)16-9-8-14(25-17(16)5-4-10-35-25)11-21(27(38)40-2)36-26(37)24-19(29)6-3-7-20(24)30;1-15-12-19(24(36-2)14-22(15)31)17-10-9-16(26-18(17)6-5-11-32-26)13-23(28(35)37-3)33-27(34)25-20(29)7-4-8-21(25)30;2*1-36-22-13-15(31)12-20(30)23(22)16-9-8-14(25-17(16)5-4-10-32-25)11-21(27(35)37-2)33-26(34)24-18(28)6-3-7-19(24)29;2*1-36-23-13-21(31)20(30)12-17(23)15-9-8-14(25-16(15)5-4-10-32-25)11-22(27(35)37-2)33-26(34)24-18(28)6-3-7-19(24)29;1-38-25(37)19(35-24(36)20-17(27)5-2-6-18(20)28)12-13-7-8-15(14-4-3-10-33-22(13)14)23-21(29)16(9-11-34-23)26(30,31)32/h2*3-10,12-13,21H,11H2,1-2H3,(H,36,37);4-12,14,23H,13H2,1-3H3,(H,33,34);2*3-10,12-13,21H,11H2,1-2H3,(H,33,34);2*3-10,12-13,22H,11H2,1-2H3,(H,33,34);2-11,19H,12H2,1H3,(H,35,36)/t2*21-;23-;2*21-;2*22-;19-/m00000000/s1/i;;;;;;1D3;.
What are the key properties of bis(methyl (2S)-3-[5-(2-chloro-4-fluoro-6-methoxyphenyl)quinolin-8-yl]-2-[(2,6-dichlorobenzoyl)amino]propanoate);methyl (2S)-3-[5-(5-chloro-4-fluoro-2-methoxyphenyl)quinolin-8-yl]-2-[(2,6-dichlorobenzoyl)amino]propanoate;methyl (2S)-3-[5-[3-chloro-4-(trifluoromethyl)-2-pyridinyl]quinolin-8-yl]-2-[(2,6-dichlorobenzoyl)amino]propanoate;methyl (2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[5-[4,5-difluoro-2-(trideuteriomethoxy)phenyl]quinolin-8-yl]propanoate;methyl (2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[5-(4-fluoro-2-methoxy-5-methylphenyl)quinolin-8-yl]propanoate;bis(methyl (2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[5-[4-fluoro-2-methoxy-6-(trifluoromethyl)phenyl]quinolin-8-yl]propanoate)?
bis(methyl (2S)-3-[5-(2-chloro-4-fluoro-6-methoxyphenyl)quinolin-8-yl]-2-[(2,6-dichlorobenzoyl)amino]propanoate);methyl (2S)-3-[5-(5-chloro-4-fluoro-2-methoxyphenyl)quinolin-8-yl]-2-[(2,6-dichlorobenzoyl)amino]propanoate;methyl (2S)-3-[5-[3-chloro-4-(trifluoromethyl)-2-pyridinyl]quinolin-8-yl]-2-[(2,6-dichlorobenzoyl)amino]propanoate;methyl (2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[5-[4,5-difluoro-2-(trideuteriomethoxy)phenyl]quinolin-8-yl]propanoate;methyl (2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[5-(4-fluoro-2-methoxy-5-methylphenyl)quinolin-8-yl]propanoate;bis(methyl (2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[5-[4-fluoro-2-methoxy-6-(trifluoromethyl)phenyl]quinolin-8-yl]propanoate) has a molecular weight of 4548.81 g/mol, XLogP of 52.33, 56 rotatable bonds, 8 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for bis(methyl (2S)-3-[5-(2-chloro-4-fluoro-6-methoxyphenyl)quinolin-8-yl]-2-[(2,6-dichlorobenzoyl)amino]propanoate);methyl (2S)-3-[5-(5-chloro-4-fluoro-2-methoxyphenyl)quinolin-8-yl]-2-[(2,6-dichlorobenzoyl)amino]propanoate;methyl (2S)-3-[5-[3-chloro-4-(trifluoromethyl)-2-pyridinyl]quinolin-8-yl]-2-[(2,6-dichlorobenzoyl)amino]propanoate;methyl (2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[5-[4,5-difluoro-2-(trideuteriomethoxy)phenyl]quinolin-8-yl]propanoate;methyl (2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[5-(4-fluoro-2-methoxy-5-methylphenyl)quinolin-8-yl]propanoate;bis(methyl (2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[5-[4-fluoro-2-methoxy-6-(trifluoromethyl)phenyl]quinolin-8-yl]propanoate) is sourced from PubChem (CID 159058970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).