methane;methyl (2S)-2-[[2,6-difluoro-4-[(3R)-3-(2,2,2-trifluoroethyl)morpholin-4-yl]benzoyl]amino]-3-[8-[1,6-dimethyl-2-oxo-4-(trifluoromethyl)-3-pyridinyl]quinolin-5-yl]propanoate;methyl (2S)-2-[[2,6-difluoro-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]-3-[8-[5-(dimethylamino)-1,6-dimethyl-2-oxo-3-pyridinyl]quinolin-5-yl]propanoate;methyl (2S)-2-[[2,6-difluoro-4-[(3S)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]-3-[8-(4,5,6-trimethyl-3-oxopyrazin-2-yl)quinolin-5-yl]propanoate

C103H106F18N14O15 — CID 157285609

About methane;methyl (2S)-2-[[2,6-difluoro-4-[(3R)-3-(2,2,2-trifluoroethyl)morpholin-4-yl]benzoyl]amino]-3-[8-[1,6-dimethyl-2-oxo-4-(trifluoromethyl)-3-pyridinyl]quinolin-5-yl]propanoate;methyl (2S)-2-[[2,6-difluoro-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]-3-[8-[5-(dimethylamino)-1,6-dimethyl-2-oxo-3-pyridinyl]quinolin-5-yl]propanoate;methyl (2S)-2-[[2,6-difluoro-4-[(3S)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]-3-[8-(4,5,6-trimethyl-3-oxopyrazin-2-yl)quinolin-5-yl]propanoate

methane;methyl (2S)-2-[[2,6-difluoro-4-[(3R)-3-(2,2,2-trifluoroethyl)morpholin-4-yl]benzoyl]amino]-3-[8-[1,6-dimethyl-2-oxo-4-(trifluoromethyl)-3-pyridinyl]quinolin-5-yl]propanoate;methyl (2S)-2-[[2,6-difluoro-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]-3-[8-[5-(dimethylamino)-1,6-dimethyl-2-oxo-3-pyridinyl]quinolin-5-yl]propanoate;methyl (2S)-2-[[2,6-difluoro-4-[(3S)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]-3-[8-(4,5,6-trimethyl-3-oxopyrazin-2-yl)quinolin-5-yl]propanoate (PubChem CID 157285609) has the molecular formula C103H106F18N14O15 and a molecular weight of 2122.03 g/mol. Its IUPAC name is methane;methyl (2S)-2-[[2,6-difluoro-4-[(3R)-3-(2,2,2-trifluoroethyl)morpholin-4-yl]benzoyl]amino]-3-[8-[1,6-dimethyl-2-oxo-4-(trifluoromethyl)-3-pyridinyl]quinolin-5-yl]propanoate;methyl (2S)-2-[[2,6-difluoro-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]-3-[8-[5-(dimethylamino)-1,6-dimethyl-2-oxo-3-pyridinyl]quinolin-5-yl]propanoate;methyl (2S)-2-[[2,6-difluoro-4-[(3S)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]-3-[8-(4,5,6-trimethyl-3-oxopyrazin-2-yl)quinolin-5-yl]propanoate.

Molecular Properties

• Compound Name: methane;methyl (2S)-2-[[2,6-difluoro-4-[(3R)-3-(2,2,2-trifluoroethyl)morpholin-4-yl]benzoyl]amino]-3-[8-[1,6-dimethyl-2-oxo-4-(trifluoromethyl)-3-pyridinyl]quinolin-5-yl]propanoate;methyl (2S)-2-[[2,6-difluoro-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]-3-[8-[5-(dimethylamino)-1,6-dimethyl-2-oxo-3-pyridinyl]quinolin-5-yl]propanoate;methyl (2S)-2-[[2,6-difluoro-4-[(3S)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]-3-[8-(4,5,6-trimethyl-3-oxopyrazin-2-yl)quinolin-5-yl]propanoate
• PubChem CID: 157285609
• Molecular Formula: C103H106F18N14O15
• Molecular Weight: 2122.03 g/mol
• Exact Mass: 2120.77
• IUPAC Name: methane;methyl (2S)-2-[[2,6-difluoro-4-[(3R)-3-(2,2,2-trifluoroethyl)morpholin-4-yl]benzoyl]amino]-3-[8-[1,6-dimethyl-2-oxo-4-(trifluoromethyl)-3-pyridinyl]quinolin-5-yl]propanoate;methyl (2S)-2-[[2,6-difluoro-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]-3-[8-[5-(dimethylamino)-1,6-dimethyl-2-oxo-3-pyridinyl]quinolin-5-yl]propanoate;methyl (2S)-2-[[2,6-difluoro-4-[(3S)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]-3-[8-(4,5,6-trimethyl-3-oxopyrazin-2-yl)quinolin-5-yl]propanoate
• SMILES: C.C.C.COC(=O)[C@H](Cc1ccc(-c2c(C(F)(F)F)cc(C)n(C)c2=O)c2ncccc12)NC(=O)c1c(F)cc(N2CCOC[C@H]2CC(F)(F)F)cc1F.COC(=O)[C@H](Cc1ccc(-c2cc(N(C)C)c(C)n(C)c2=O)c2ncccc12)NC(=O)c1c(F)cc(N2CCOC[C@@H]2C(F)(F)F)cc1F.COC(=O)[C@H](Cc1ccc(-c2nc(C)c(C)n(C)c2=O)c2ncccc12)NC(=O)c1c(F)cc(N2CCOC[C@H]2C(F)(F)F)cc1F
• InChI: InChI=1S/C34H30F8N4O5.C34H34F5N5O5.C32H30F5N5O5.3CH4/c1-17-11-23(34(40,41)42)27(31(48)45(17)2)22-7-6-18(21-5-4-8-43-29(21)22)12-26(32(49)50-3)44-30(47)28-24(35)13-19(14-25(28)36)46-9-10-51-16-20(46)15-33(37,38)39;1-18-27(42(2)3)16-23(32(46)43(18)4)22-9-8-19(21-7-6-10-40-30(21)22)13-26(33(47)48-5)41-31(45)29-24(35)14-20(15-25(29)36)44-11-12-49-17-28(44)34(37,38)39;1-16-17(2)41(3)30(44)28(39-16)21-8-7-18(20-6-5-9-38-27(20)21)12-24(31(45)46-4)40-29(43)26-22(33)13-19(14-23(26)34)42-10-11-47-15-25(42)32(35,36)37;;;/h4-8,11,13-14,20,26H,9-10,12,15-16H2,1-3H3,(H,44,47);6-10,14-16,26,28H,11-13,17H2,1-5H3,(H,41,45);5-9,13-14,24-25H,10-12,15H2,1-4H3,(H,40,43);3*1H4/t20-,26+;26-,28+;24-,25-;;;/m100.../s1
• InChIKey: BAESTYQWSKAHCF-HSAZYPLJSA-N
• XLogP: 16.49
• TPSA: 324.41 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 26
• Rotatable Bonds: 23
• Heavy Atoms: 150
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2122.03
LogP ≤ 5	16.49
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of methane;methyl (2S)-2-[[2,6-difluoro-4-[(3R)-3-(2,2,2-trifluoroethyl)morpholin-4-yl]benzoyl]amino]-3-[8-[1,6-dimethyl-2-oxo-4-(trifluoromethyl)-3-pyridinyl]quinolin-5-yl]propanoate;methyl (2S)-2-[[2,6-difluoro-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]-3-[8-[5-(dimethylamino)-1,6-dimethyl-2-oxo-3-pyridinyl]quinolin-5-yl]propanoate;methyl (2S)-2-[[2,6-difluoro-4-[(3S)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]-3-[8-(4,5,6-trimethyl-3-oxopyrazin-2-yl)quinolin-5-yl]propanoate?

The IUPAC name of methane;methyl (2S)-2-[[2,6-difluoro-4-[(3R)-3-(2,2,2-trifluoroethyl)morpholin-4-yl]benzoyl]amino]-3-[8-[1,6-dimethyl-2-oxo-4-(trifluoromethyl)-3-pyridinyl]quinolin-5-yl]propanoate;methyl (2S)-2-[[2,6-difluoro-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]-3-[8-[5-(dimethylamino)-1,6-dimethyl-2-oxo-3-pyridinyl]quinolin-5-yl]propanoate;methyl (2S)-2-[[2,6-difluoro-4-[(3S)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]-3-[8-(4,5,6-trimethyl-3-oxopyrazin-2-yl)quinolin-5-yl]propanoate (CID 157285609) is methane;methyl (2S)-2-[[2,6-difluoro-4-[(3R)-3-(2,2,2-trifluoroethyl)morpholin-4-yl]benzoyl]amino]-3-[8-[1,6-dimethyl-2-oxo-4-(trifluoromethyl)-3-pyridinyl]quinolin-5-yl]propanoate;methyl (2S)-2-[[2,6-difluoro-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]-3-[8-[5-(dimethylamino)-1,6-dimethyl-2-oxo-3-pyridinyl]quinolin-5-yl]propanoate;methyl (2S)-2-[[2,6-difluoro-4-[(3S)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]-3-[8-(4,5,6-trimethyl-3-oxopyrazin-2-yl)quinolin-5-yl]propanoate.

What is the SMILES notation for methane;methyl (2S)-2-[[2,6-difluoro-4-[(3R)-3-(2,2,2-trifluoroethyl)morpholin-4-yl]benzoyl]amino]-3-[8-[1,6-dimethyl-2-oxo-4-(trifluoromethyl)-3-pyridinyl]quinolin-5-yl]propanoate;methyl (2S)-2-[[2,6-difluoro-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]-3-[8-[5-(dimethylamino)-1,6-dimethyl-2-oxo-3-pyridinyl]quinolin-5-yl]propanoate;methyl (2S)-2-[[2,6-difluoro-4-[(3S)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]-3-[8-(4,5,6-trimethyl-3-oxopyrazin-2-yl)quinolin-5-yl]propanoate?

The canonical SMILES for methane;methyl (2S)-2-[[2,6-difluoro-4-[(3R)-3-(2,2,2-trifluoroethyl)morpholin-4-yl]benzoyl]amino]-3-[8-[1,6-dimethyl-2-oxo-4-(trifluoromethyl)-3-pyridinyl]quinolin-5-yl]propanoate;methyl (2S)-2-[[2,6-difluoro-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]-3-[8-[5-(dimethylamino)-1,6-dimethyl-2-oxo-3-pyridinyl]quinolin-5-yl]propanoate;methyl (2S)-2-[[2,6-difluoro-4-[(3S)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]-3-[8-(4,5,6-trimethyl-3-oxopyrazin-2-yl)quinolin-5-yl]propanoate is C.C.C.COC(=O)[C@H](Cc1ccc(-c2c(C(F)(F)F)cc(C)n(C)c2=O)c2ncccc12)NC(=O)c1c(F)cc(N2CCOC[C@H]2CC(F)(F)F)cc1F.COC(=O)[C@H](Cc1ccc(-c2cc(N(C)C)c(C)n(C)c2=O)c2ncccc12)NC(=O)c1c(F)cc(N2CCOC[C@@H]2C(F)(F)F)cc1F.COC(=O)[C@H](Cc1ccc(-c2nc(C)c(C)n(C)c2=O)c2ncccc12)NC(=O)c1c(F)cc(N2CCOC[C@H]2C(F)(F)F)cc1F.

What is the InChIKey of methane;methyl (2S)-2-[[2,6-difluoro-4-[(3R)-3-(2,2,2-trifluoroethyl)morpholin-4-yl]benzoyl]amino]-3-[8-[1,6-dimethyl-2-oxo-4-(trifluoromethyl)-3-pyridinyl]quinolin-5-yl]propanoate;methyl (2S)-2-[[2,6-difluoro-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]-3-[8-[5-(dimethylamino)-1,6-dimethyl-2-oxo-3-pyridinyl]quinolin-5-yl]propanoate;methyl (2S)-2-[[2,6-difluoro-4-[(3S)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]-3-[8-(4,5,6-trimethyl-3-oxopyrazin-2-yl)quinolin-5-yl]propanoate?

The InChIKey is BAESTYQWSKAHCF-HSAZYPLJSA-N. The full InChI is InChI=1S/C34H30F8N4O5.C34H34F5N5O5.C32H30F5N5O5.3CH4/c1-17-11-23(34(40,41)42)27(31(48)45(17)2)22-7-6-18(21-5-4-8-43-29(21)22)12-26(32(49)50-3)44-30(47)28-24(35)13-19(14-25(28)36)46-9-10-51-16-20(46)15-33(37,38)39;1-18-27(42(2)3)16-23(32(46)43(18)4)22-9-8-19(21-7-6-10-40-30(21)22)13-26(33(47)48-5)41-31(45)29-24(35)14-20(15-25(29)36)44-11-12-49-17-28(44)34(37,38)39;1-16-17(2)41(3)30(44)28(39-16)21-8-7-18(20-6-5-9-38-27(20)21)12-24(31(45)46-4)40-29(43)26-22(33)13-19(14-23(26)34)42-10-11-47-15-25(42)32(35,36)37;;;/h4-8,11,13-14,20,26H,9-10,12,15-16H2,1-3H3,(H,44,47);6-10,14-16,26,28H,11-13,17H2,1-5H3,(H,41,45);5-9,13-14,24-25H,10-12,15H2,1-4H3,(H,40,43);3*1H4/t20-,26+;26-,28+;24-,25-;;;/m100.../s1.

What are the key properties of methane;methyl (2S)-2-[[2,6-difluoro-4-[(3R)-3-(2,2,2-trifluoroethyl)morpholin-4-yl]benzoyl]amino]-3-[8-[1,6-dimethyl-2-oxo-4-(trifluoromethyl)-3-pyridinyl]quinolin-5-yl]propanoate;methyl (2S)-2-[[2,6-difluoro-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]-3-[8-[5-(dimethylamino)-1,6-dimethyl-2-oxo-3-pyridinyl]quinolin-5-yl]propanoate;methyl (2S)-2-[[2,6-difluoro-4-[(3S)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]-3-[8-(4,5,6-trimethyl-3-oxopyrazin-2-yl)quinolin-5-yl]propanoate?

methane;methyl (2S)-2-[[2,6-difluoro-4-[(3R)-3-(2,2,2-trifluoroethyl)morpholin-4-yl]benzoyl]amino]-3-[8-[1,6-dimethyl-2-oxo-4-(trifluoromethyl)-3-pyridinyl]quinolin-5-yl]propanoate;methyl (2S)-2-[[2,6-difluoro-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]-3-[8-[5-(dimethylamino)-1,6-dimethyl-2-oxo-3-pyridinyl]quinolin-5-yl]propanoate;methyl (2S)-2-[[2,6-difluoro-4-[(3S)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]-3-[8-(4,5,6-trimethyl-3-oxopyrazin-2-yl)quinolin-5-yl]propanoate has a molecular weight of 2122.03 g/mol, XLogP of 16.49, 23 rotatable bonds, 3 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for methane;methyl (2S)-2-[[2,6-difluoro-4-[(3R)-3-(2,2,2-trifluoroethyl)morpholin-4-yl]benzoyl]amino]-3-[8-[1,6-dimethyl-2-oxo-4-(trifluoromethyl)-3-pyridinyl]quinolin-5-yl]propanoate;methyl (2S)-2-[[2,6-difluoro-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]-3-[8-[5-(dimethylamino)-1,6-dimethyl-2-oxo-3-pyridinyl]quinolin-5-yl]propanoate;methyl (2S)-2-[[2,6-difluoro-4-[(3S)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]-3-[8-(4,5,6-trimethyl-3-oxopyrazin-2-yl)quinolin-5-yl]propanoate is sourced from PubChem (CID 157285609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).