methyl (2S)-3-[4,5-bis(2-chloro-4-fluorophenyl)quinolin-8-yl]-2-[(2,6-difluorobenzoyl)amino]propanoate;methyl (2S)-3-[4-chloro-5-(2-chloro-4-fluorophenyl)quinolin-8-yl]-2-[(2,6-difluorobenzoyl)amino]propanoate;methyl (2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[5-(dimethylcarbamoyloxy)quinolin-8-yl]propanoate;methyl (2S)-2-[[2,6-difluoro-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]-3-[5-[1,6-dimethyl-2-oxo-4-(trifluoromethyl)-3-pyridinyl]quinolin-8-yl]propanoate;bis(methyl (2S)-2-[[2,6-difluoro-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]-3-[5-(6-fluoro-1,4-dimethyl-2-oxoquinolin-3-yl)quinolin-8-yl]propanoate)

C186H146Cl6F27N19O26 — CID 161086095

IUPACmethyl (2S)-3-[4,5-bis(2-chloro-4-fluorophenyl)quinolin-8-yl]-2-[(2,6-difluorobenzoyl)amino]propanoate;methyl (2S)-3-[4-chloro-5-(2-chloro-4-fluorophenyl)quinolin-8-yl]-2-[(2,6-difluorobenzoyl)amino]propanoate;methyl (2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[5-(dimethylcarbamoyloxy)quinolin-8-yl]propanoate;methyl (2S)-2-[[2,6-difluoro-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]-3-[5-[1,6-dimethyl-2-oxo-4-(trifluoromethyl)-3-pyridinyl]quinolin-8-yl]propanoate;bis(methyl (2S)-2-[[2,6-difluoro-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]-3-[5-(6-fluoro-1,4-dimethyl-2-oxoquinolin-3-yl)quinolin-8-yl]propanoate)
SMILESCOC(=O)[C@H](Cc1ccc(-c2c(C(F)(F)F)cc(C)n(C)c2=O)c2cccnc12)NC(=O)c1c(F)cc(N2CCOC[C@@H]2C(F)(F)F)cc1F.COC(=O)[C@H](Cc1ccc(-c2c(C)c3cc(F)ccc3n(C)c2=O)c2cccnc12)NC(=O)c1c(F)cc(N2CCOC[C@@H]2C(F)(F)F)cc1F.COC(=O)[C@H](Cc1ccc(-c2c(C)c3cc(F)ccc3n(C)c2=O)c2cccnc12)NC(=O)c1c(F)cc(N2CCOC[C@@H]2C(F)(F)F)cc1F.COC(=O)[C@H](Cc1ccc(-c2ccc(F)cc2Cl)c2c(-c3ccc(F)cc3Cl)ccnc12)NC(=O)c1c(F)cccc1F.COC(=O)[C@H](Cc1ccc(-c2ccc(F)cc2Cl)c2c(Cl)ccnc12)NC(=O)c1c(F)cccc1F.COC(=O)[C@H](Cc1ccc(OC(=O)N(C)C)c2cccnc12)NC(=O)c1c(Cl)cccc1Cl
InChIInChI=1S/2C36H30F6N4O5.C33H28F8N4O5.C32H20Cl2F4N2O3.C26H17Cl2F3N2O3.C23H21Cl2N3O5/c2*1-18-24-14-20(37)7-9-28(24)45(2)34(48)30(18)22-8-6-19(32-23(22)5-4-10-43-32)13-27(35(49)50-3)44-33(47)31-25(38)15-21(16-26(31)39)46-11-12-51-17-29(46)36(40,41)42;1-16-11-21(32(36,37)38)26(30(47)44(16)2)19-7-6-17(28-20(19)5-4-8-42-28)12-24(31(48)49-3)43-29(46)27-22(34)13-18(14-23(27)35)45-9-10-50-15-25(45)33(39,40)41;1-43-32(42)27(40-31(41)29-25(37)3-2-4-26(29)38)13-16-5-8-21(19-9-6-17(35)14-23(19)33)28-22(11-12-39-30(16)28)20-10-7-18(36)15-24(20)34;1-36-26(35)21(33-25(34)23-19(30)3-2-4-20(23)31)11-13-5-7-16(15-8-6-14(29)12-18(15)28)22-17(27)9-10-32-24(13)22;1-28(2)23(31)33-18-10-9-13(20-14(18)6-5-11-26-20)12-17(22(30)32-3)27-21(29)19-15(24)7-4-8-16(19)25/h2*4-10,14-16,27,29H,11-13,17H2,1-3H3,(H,44,47);4-8,11,13-14,24-25H,9-10,12,15H2,1-3H3,(H,43,46);2-12,14-15,27H,13H2,1H3,(H,40,41);2-10,12,21H,11H2,1H3,(H,33,34);4-11,17H,12H2,1-3H3,(H,27,29)/t2*27-,29+;24-,25+;27-;21-;17-/m000000/s1
InChIKeyUGNLQIYCEYCWPL-FSHWSGOMSA-N
MW3788.98 g/mol
LogP35.21
Rot. Bonds40

About methyl (2S)-3-[4,5-bis(2-chloro-4-fluorophenyl)quinolin-8-yl]-2-[(2,6-difluorobenzoyl)amino]propanoate;methyl (2S)-3-[4-chloro-5-(2-chloro-4-fluorophenyl)quinolin-8-yl]-2-[(2,6-difluorobenzoyl)amino]propanoate;methyl (2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[5-(dimethylcarbamoyloxy)quinolin-8-yl]propanoate;methyl (2S)-2-[[2,6-difluoro-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]-3-[5-[1,6-dimethyl-2-oxo-4-(trifluoromethyl)-3-pyridinyl]quinolin-8-yl]propanoate;bis(methyl (2S)-2-[[2,6-difluoro-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]-3-[5-(6-fluoro-1,4-dimethyl-2-oxoquinolin-3-yl)quinolin-8-yl]propanoate)

methyl (2S)-3-[4,5-bis(2-chloro-4-fluorophenyl)quinolin-8-yl]-2-[(2,6-difluorobenzoyl)amino]propanoate;methyl (2S)-3-[4-chloro-5-(2-chloro-4-fluorophenyl)quinolin-8-yl]-2-[(2,6-difluorobenzoyl)amino]propanoate;methyl (2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[5-(dimethylcarbamoyloxy)quinolin-8-yl]propanoate;methyl (2S)-2-[[2,6-difluoro-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]-3-[5-[1,6-dimethyl-2-oxo-4-(trifluoromethyl)-3-pyridinyl]quinolin-8-yl]propanoate;bis(methyl (2S)-2-[[2,6-difluoro-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]-3-[5-(6-fluoro-1,4-dimethyl-2-oxoquinolin-3-yl)quinolin-8-yl]propanoate) (PubChem CID 161086095) has the molecular formula C186H146Cl6F27N19O26 and a molecular weight of 3788.98 g/mol. Its IUPAC name is methyl (2S)-3-[4,5-bis(2-chloro-4-fluorophenyl)quinolin-8-yl]-2-[(2,6-difluorobenzoyl)amino]propanoate;methyl (2S)-3-[4-chloro-5-(2-chloro-4-fluorophenyl)quinolin-8-yl]-2-[(2,6-difluorobenzoyl)amino]propanoate;methyl (2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[5-(dimethylcarbamoyloxy)quinolin-8-yl]propanoate;methyl (2S)-2-[[2,6-difluoro-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]-3-[5-[1,6-dimethyl-2-oxo-4-(trifluoromethyl)-3-pyridinyl]quinolin-8-yl]propanoate;bis(methyl (2S)-2-[[2,6-difluoro-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]-3-[5-(6-fluoro-1,4-dimethyl-2-oxoquinolin-3-yl)quinolin-8-yl]propanoate).

Molecular Properties

Compound Namemethyl (2S)-3-[4,5-bis(2-chloro-4-fluorophenyl)quinolin-8-yl]-2-[(2,6-difluorobenzoyl)amino]propanoate;methyl (2S)-3-[4-chloro-5-(2-chloro-4-fluorophenyl)quinolin-8-yl]-2-[(2,6-difluorobenzoyl)amino]propanoate;methyl (2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[5-(dimethylcarbamoyloxy)quinolin-8-yl]propanoate;methyl (2S)-2-[[2,6-difluoro-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]-3-[5-[1,6-dimethyl-2-oxo-4-(trifluoromethyl)-3-pyridinyl]quinolin-8-yl]propanoate;bis(methyl (2S)-2-[[2,6-difluoro-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]-3-[5-(6-fluoro-1,4-dimethyl-2-oxoquinolin-3-yl)quinolin-8-yl]propanoate)
PubChem CID161086095
Molecular FormulaC186H146Cl6F27N19O26
Molecular Weight3788.98 g/mol
Exact Mass3783.84
IUPAC Namemethyl (2S)-3-[4,5-bis(2-chloro-4-fluorophenyl)quinolin-8-yl]-2-[(2,6-difluorobenzoyl)amino]propanoate;methyl (2S)-3-[4-chloro-5-(2-chloro-4-fluorophenyl)quinolin-8-yl]-2-[(2,6-difluorobenzoyl)amino]propanoate;methyl (2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[5-(dimethylcarbamoyloxy)quinolin-8-yl]propanoate;methyl (2S)-2-[[2,6-difluoro-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]-3-[5-[1,6-dimethyl-2-oxo-4-(trifluoromethyl)-3-pyridinyl]quinolin-8-yl]propanoate;bis(methyl (2S)-2-[[2,6-difluoro-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]-3-[5-(6-fluoro-1,4-dimethyl-2-oxoquinolin-3-yl)quinolin-8-yl]propanoate)
SMILESCOC(=O)[C@H](Cc1ccc(-c2c(C(F)(F)F)cc(C)n(C)c2=O)c2cccnc12)NC(=O)c1c(F)cc(N2CCOC[C@@H]2C(F)(F)F)cc1F.COC(=O)[C@H](Cc1ccc(-c2c(C)c3cc(F)ccc3n(C)c2=O)c2cccnc12)NC(=O)c1c(F)cc(N2CCOC[C@@H]2C(F)(F)F)cc1F.COC(=O)[C@H](Cc1ccc(-c2c(C)c3cc(F)ccc3n(C)c2=O)c2cccnc12)NC(=O)c1c(F)cc(N2CCOC[C@@H]2C(F)(F)F)cc1F.COC(=O)[C@H](Cc1ccc(-c2ccc(F)cc2Cl)c2c(-c3ccc(F)cc3Cl)ccnc12)NC(=O)c1c(F)cccc1F.COC(=O)[C@H](Cc1ccc(-c2ccc(F)cc2Cl)c2c(Cl)ccnc12)NC(=O)c1c(F)cccc1F.COC(=O)[C@H](Cc1ccc(OC(=O)N(C)C)c2cccnc12)NC(=O)c1c(Cl)cccc1Cl
InChIInChI=1S/2C36H30F6N4O5.C33H28F8N4O5.C32H20Cl2F4N2O3.C26H17Cl2F3N2O3.C23H21Cl2N3O5/c2*1-18-24-14-20(37)7-9-28(24)45(2)34(48)30(18)22-8-6-19(32-23(22)5-4-10-43-32)13-27(35(49)50-3)44-33(47)31-25(38)15-21(16-26(31)39)46-11-12-51-17-29(46)36(40,41)42;1-16-11-21(32(36,37)38)26(30(47)44(16)2)19-7-6-17(28-20(19)5-4-8-42-28)12-24(31(48)49-3)43-29(46)27-22(34)13-18(14-23(27)35)45-9-10-50-15-25(45)33(39,40)41;1-43-32(42)27(40-31(41)29-25(37)3-2-4-26(29)38)13-16-5-8-21(19-9-6-17(35)14-23(19)33)28-22(11-12-39-30(16)28)20-10-7-18(36)15-24(20)34;1-36-26(35)21(33-25(34)23-19(30)3-2-4-20(23)31)11-13-5-7-16(15-8-6-14(29)12-18(15)28)22-17(27)9-10-32-24(13)22;1-28(2)23(31)33-18-10-9-13(20-14(18)6-5-11-26-20)12-17(22(30)32-3)27-21(29)19-15(24)7-4-8-16(19)25/h2*4-10,14-16,27,29H,11-13,17H2,1-3H3,(H,44,47);4-8,11,13-14,24-25H,9-10,12,15H2,1-3H3,(H,43,46);2-12,14-15,27H,13H2,1H3,(H,40,41);2-10,12,21H,11H2,1H3,(H,33,34);4-11,17H,12H2,1-3H3,(H,27,29)/t2*27-,29+;24-,25+;27-;21-;17-/m000000/s1
InChIKeyUGNLQIYCEYCWPL-FSHWSGOMSA-N
XLogP35.21
TPSA542.69 Ų
H-Bond Donors6
H-Bond Acceptors38
Rotatable Bonds40
Heavy Atoms264
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003788.98
LogP ≤ 535.21
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1038

Analyze methyl (2S)-3-[4,5-bis(2-chloro-4-fluorophenyl)quinolin-8-yl]-2-[(2,6-difluorobenzoyl)amino]propanoate;methyl (2S)-3-[4-chloro-5-(2-chloro-4-fluorophenyl)quinolin-8-yl]-2-[(2,6-difluorobenzoyl)amino]propanoate;methyl (2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[5-(dimethylcarbamoyloxy)quinolin-8-yl]propanoate;methyl (2S)-2-[[2,6-difluoro-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]-3-[5-[1,6-dimethyl-2-oxo-4-(trifluoromethyl)-3-pyridinyl]quinolin-8-yl]propanoate;bis(methyl (2S)-2-[[2,6-difluoro-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]-3-[5-(6-fluoro-1,4-dimethyl-2-oxoquinolin-3-yl)quinolin-8-yl]propanoate) 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

(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)-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)-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
(2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[5-(3,4-difluoro-2-methoxyphenyl)quinolin-8-yl]propanoic acid
CID 146584995
2-[(2,6-Dichlorobenzoyl)amino]-3-[5-(3,4-difluoro-2-methoxyphenyl)quinolin-8-yl]propanoic acid
CID 146584997
(2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[5-(4-fluoro-2-methoxy-5-methylphenyl)quinolin-8-yl]propanoic acid
CID 146585021
2-[(2,6-Dichlorobenzoyl)amino]-3-[5-(4-fluoro-2-methoxy-5-methylphenyl)quinolin-8-yl]propanoic acid
CID 146585022

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-3-[4,5-bis(2-chloro-4-fluorophenyl)quinolin-8-yl]-2-[(2,6-difluorobenzoyl)amino]propanoate;methyl (2S)-3-[4-chloro-5-(2-chloro-4-fluorophenyl)quinolin-8-yl]-2-[(2,6-difluorobenzoyl)amino]propanoate;methyl (2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[5-(dimethylcarbamoyloxy)quinolin-8-yl]propanoate;methyl (2S)-2-[[2,6-difluoro-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]-3-[5-[1,6-dimethyl-2-oxo-4-(trifluoromethyl)-3-pyridinyl]quinolin-8-yl]propanoate;bis(methyl (2S)-2-[[2,6-difluoro-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]-3-[5-(6-fluoro-1,4-dimethyl-2-oxoquinolin-3-yl)quinolin-8-yl]propanoate)?
The IUPAC name of methyl (2S)-3-[4,5-bis(2-chloro-4-fluorophenyl)quinolin-8-yl]-2-[(2,6-difluorobenzoyl)amino]propanoate;methyl (2S)-3-[4-chloro-5-(2-chloro-4-fluorophenyl)quinolin-8-yl]-2-[(2,6-difluorobenzoyl)amino]propanoate;methyl (2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[5-(dimethylcarbamoyloxy)quinolin-8-yl]propanoate;methyl (2S)-2-[[2,6-difluoro-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]-3-[5-[1,6-dimethyl-2-oxo-4-(trifluoromethyl)-3-pyridinyl]quinolin-8-yl]propanoate;bis(methyl (2S)-2-[[2,6-difluoro-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]-3-[5-(6-fluoro-1,4-dimethyl-2-oxoquinolin-3-yl)quinolin-8-yl]propanoate) (CID 161086095) is methyl (2S)-3-[4,5-bis(2-chloro-4-fluorophenyl)quinolin-8-yl]-2-[(2,6-difluorobenzoyl)amino]propanoate;methyl (2S)-3-[4-chloro-5-(2-chloro-4-fluorophenyl)quinolin-8-yl]-2-[(2,6-difluorobenzoyl)amino]propanoate;methyl (2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[5-(dimethylcarbamoyloxy)quinolin-8-yl]propanoate;methyl (2S)-2-[[2,6-difluoro-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]-3-[5-[1,6-dimethyl-2-oxo-4-(trifluoromethyl)-3-pyridinyl]quinolin-8-yl]propanoate;bis(methyl (2S)-2-[[2,6-difluoro-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]-3-[5-(6-fluoro-1,4-dimethyl-2-oxoquinolin-3-yl)quinolin-8-yl]propanoate).
What is the SMILES notation for methyl (2S)-3-[4,5-bis(2-chloro-4-fluorophenyl)quinolin-8-yl]-2-[(2,6-difluorobenzoyl)amino]propanoate;methyl (2S)-3-[4-chloro-5-(2-chloro-4-fluorophenyl)quinolin-8-yl]-2-[(2,6-difluorobenzoyl)amino]propanoate;methyl (2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[5-(dimethylcarbamoyloxy)quinolin-8-yl]propanoate;methyl (2S)-2-[[2,6-difluoro-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]-3-[5-[1,6-dimethyl-2-oxo-4-(trifluoromethyl)-3-pyridinyl]quinolin-8-yl]propanoate;bis(methyl (2S)-2-[[2,6-difluoro-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]-3-[5-(6-fluoro-1,4-dimethyl-2-oxoquinolin-3-yl)quinolin-8-yl]propanoate)?
The canonical SMILES for methyl (2S)-3-[4,5-bis(2-chloro-4-fluorophenyl)quinolin-8-yl]-2-[(2,6-difluorobenzoyl)amino]propanoate;methyl (2S)-3-[4-chloro-5-(2-chloro-4-fluorophenyl)quinolin-8-yl]-2-[(2,6-difluorobenzoyl)amino]propanoate;methyl (2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[5-(dimethylcarbamoyloxy)quinolin-8-yl]propanoate;methyl (2S)-2-[[2,6-difluoro-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]-3-[5-[1,6-dimethyl-2-oxo-4-(trifluoromethyl)-3-pyridinyl]quinolin-8-yl]propanoate;bis(methyl (2S)-2-[[2,6-difluoro-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]-3-[5-(6-fluoro-1,4-dimethyl-2-oxoquinolin-3-yl)quinolin-8-yl]propanoate) is COC(=O)[C@H](Cc1ccc(-c2c(C(F)(F)F)cc(C)n(C)c2=O)c2cccnc12)NC(=O)c1c(F)cc(N2CCOC[C@@H]2C(F)(F)F)cc1F.COC(=O)[C@H](Cc1ccc(-c2c(C)c3cc(F)ccc3n(C)c2=O)c2cccnc12)NC(=O)c1c(F)cc(N2CCOC[C@@H]2C(F)(F)F)cc1F.COC(=O)[C@H](Cc1ccc(-c2c(C)c3cc(F)ccc3n(C)c2=O)c2cccnc12)NC(=O)c1c(F)cc(N2CCOC[C@@H]2C(F)(F)F)cc1F.COC(=O)[C@H](Cc1ccc(-c2ccc(F)cc2Cl)c2c(-c3ccc(F)cc3Cl)ccnc12)NC(=O)c1c(F)cccc1F.COC(=O)[C@H](Cc1ccc(-c2ccc(F)cc2Cl)c2c(Cl)ccnc12)NC(=O)c1c(F)cccc1F.COC(=O)[C@H](Cc1ccc(OC(=O)N(C)C)c2cccnc12)NC(=O)c1c(Cl)cccc1Cl.
What is the InChIKey of methyl (2S)-3-[4,5-bis(2-chloro-4-fluorophenyl)quinolin-8-yl]-2-[(2,6-difluorobenzoyl)amino]propanoate;methyl (2S)-3-[4-chloro-5-(2-chloro-4-fluorophenyl)quinolin-8-yl]-2-[(2,6-difluorobenzoyl)amino]propanoate;methyl (2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[5-(dimethylcarbamoyloxy)quinolin-8-yl]propanoate;methyl (2S)-2-[[2,6-difluoro-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]-3-[5-[1,6-dimethyl-2-oxo-4-(trifluoromethyl)-3-pyridinyl]quinolin-8-yl]propanoate;bis(methyl (2S)-2-[[2,6-difluoro-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]-3-[5-(6-fluoro-1,4-dimethyl-2-oxoquinolin-3-yl)quinolin-8-yl]propanoate)?
The InChIKey is UGNLQIYCEYCWPL-FSHWSGOMSA-N. The full InChI is InChI=1S/2C36H30F6N4O5.C33H28F8N4O5.C32H20Cl2F4N2O3.C26H17Cl2F3N2O3.C23H21Cl2N3O5/c2*1-18-24-14-20(37)7-9-28(24)45(2)34(48)30(18)22-8-6-19(32-23(22)5-4-10-43-32)13-27(35(49)50-3)44-33(47)31-25(38)15-21(16-26(31)39)46-11-12-51-17-29(46)36(40,41)42;1-16-11-21(32(36,37)38)26(30(47)44(16)2)19-7-6-17(28-20(19)5-4-8-42-28)12-24(31(48)49-3)43-29(46)27-22(34)13-18(14-23(27)35)45-9-10-50-15-25(45)33(39,40)41;1-43-32(42)27(40-31(41)29-25(37)3-2-4-26(29)38)13-16-5-8-21(19-9-6-17(35)14-23(19)33)28-22(11-12-39-30(16)28)20-10-7-18(36)15-24(20)34;1-36-26(35)21(33-25(34)23-19(30)3-2-4-20(23)31)11-13-5-7-16(15-8-6-14(29)12-18(15)28)22-17(27)9-10-32-24(13)22;1-28(2)23(31)33-18-10-9-13(20-14(18)6-5-11-26-20)12-17(22(30)32-3)27-21(29)19-15(24)7-4-8-16(19)25/h2*4-10,14-16,27,29H,11-13,17H2,1-3H3,(H,44,47);4-8,11,13-14,24-25H,9-10,12,15H2,1-3H3,(H,43,46);2-12,14-15,27H,13H2,1H3,(H,40,41);2-10,12,21H,11H2,1H3,(H,33,34);4-11,17H,12H2,1-3H3,(H,27,29)/t2*27-,29+;24-,25+;27-;21-;17-/m000000/s1.
What are the key properties of methyl (2S)-3-[4,5-bis(2-chloro-4-fluorophenyl)quinolin-8-yl]-2-[(2,6-difluorobenzoyl)amino]propanoate;methyl (2S)-3-[4-chloro-5-(2-chloro-4-fluorophenyl)quinolin-8-yl]-2-[(2,6-difluorobenzoyl)amino]propanoate;methyl (2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[5-(dimethylcarbamoyloxy)quinolin-8-yl]propanoate;methyl (2S)-2-[[2,6-difluoro-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]-3-[5-[1,6-dimethyl-2-oxo-4-(trifluoromethyl)-3-pyridinyl]quinolin-8-yl]propanoate;bis(methyl (2S)-2-[[2,6-difluoro-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]-3-[5-(6-fluoro-1,4-dimethyl-2-oxoquinolin-3-yl)quinolin-8-yl]propanoate)?
methyl (2S)-3-[4,5-bis(2-chloro-4-fluorophenyl)quinolin-8-yl]-2-[(2,6-difluorobenzoyl)amino]propanoate;methyl (2S)-3-[4-chloro-5-(2-chloro-4-fluorophenyl)quinolin-8-yl]-2-[(2,6-difluorobenzoyl)amino]propanoate;methyl (2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[5-(dimethylcarbamoyloxy)quinolin-8-yl]propanoate;methyl (2S)-2-[[2,6-difluoro-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]-3-[5-[1,6-dimethyl-2-oxo-4-(trifluoromethyl)-3-pyridinyl]quinolin-8-yl]propanoate;bis(methyl (2S)-2-[[2,6-difluoro-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]-3-[5-(6-fluoro-1,4-dimethyl-2-oxoquinolin-3-yl)quinolin-8-yl]propanoate) has a molecular weight of 3788.98 g/mol, XLogP of 35.21, 40 rotatable bonds, 6 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-3-[4,5-bis(2-chloro-4-fluorophenyl)quinolin-8-yl]-2-[(2,6-difluorobenzoyl)amino]propanoate;methyl (2S)-3-[4-chloro-5-(2-chloro-4-fluorophenyl)quinolin-8-yl]-2-[(2,6-difluorobenzoyl)amino]propanoate;methyl (2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[5-(dimethylcarbamoyloxy)quinolin-8-yl]propanoate;methyl (2S)-2-[[2,6-difluoro-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]-3-[5-[1,6-dimethyl-2-oxo-4-(trifluoromethyl)-3-pyridinyl]quinolin-8-yl]propanoate;bis(methyl (2S)-2-[[2,6-difluoro-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]-3-[5-(6-fluoro-1,4-dimethyl-2-oxoquinolin-3-yl)quinolin-8-yl]propanoate) is sourced from PubChem (CID 161086095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).