8-chloro-4-(3-chloro-4-methylanilino)-6-[[(S)-(6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl)-(3-propan-2-yl-1,2-dihydrotriazol-5-yl)methyl]amino]quinoline-3-carbonitrile;8-chloro-4-(3-chloro-4-methylanilino)-6-[[(R)-(1-methyltriazol-4-yl)-pyridin-3-ylmethyl]amino]quinoline-3-carbonitrile;6-[[(S)-[3-[1-(1,1-difluoroethyl)cyclopropyl]-1,2-dihydrotriazol-5-yl]-(6-fluoro-2-methyl-3-pyridinyl)methyl]amino]-4-(2,2-dimethylpropylamino)-3-ethynylquinoline-8-carbonitrile;6-[[(S)-[3-[1-(difluoromethyl)cyclopropyl]-1,2-dihydrotriazol-5-yl]-(6-fluoro-2-methyl-3-pyridinyl)methyl]amino]-3-ethynyl-4-[[(1R)-1-phenylpropyl]amino]quinoline-8-carbonitrile

C123H118Cl4F6N32S — CID 158465250

About 8-chloro-4-(3-chloro-4-methylanilino)-6-[[(S)-(6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl)-(3-propan-2-yl-1,2-dihydrotriazol-5-yl)methyl]amino]quinoline-3-carbonitrile;8-chloro-4-(3-chloro-4-methylanilino)-6-[[(R)-(1-methyltriazol-4-yl)-pyridin-3-ylmethyl]amino]quinoline-3-carbonitrile;6-[[(S)-[3-[1-(1,1-difluoroethyl)cyclopropyl]-1,2-dihydrotriazol-5-yl]-(6-fluoro-2-methyl-3-pyridinyl)methyl]amino]-4-(2,2-dimethylpropylamino)-3-ethynylquinoline-8-carbonitrile;6-[[(S)-[3-[1-(difluoromethyl)cyclopropyl]-1,2-dihydrotriazol-5-yl]-(6-fluoro-2-methyl-3-pyridinyl)methyl]amino]-3-ethynyl-4-[[(1R)-1-phenylpropyl]amino]quinoline-8-carbonitrile

8-chloro-4-(3-chloro-4-methylanilino)-6-[[(S)-(6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl)-(3-propan-2-yl-1,2-dihydrotriazol-5-yl)methyl]amino]quinoline-3-carbonitrile;8-chloro-4-(3-chloro-4-methylanilino)-6-[[(R)-(1-methyltriazol-4-yl)-pyridin-3-ylmethyl]amino]quinoline-3-carbonitrile;6-[[(S)-[3-[1-(1,1-difluoroethyl)cyclopropyl]-1,2-dihydrotriazol-5-yl]-(6-fluoro-2-methyl-3-pyridinyl)methyl]amino]-4-(2,2-dimethylpropylamino)-3-ethynylquinoline-8-carbonitrile;6-[[(S)-[3-[1-(difluoromethyl)cyclopropyl]-1,2-dihydrotriazol-5-yl]-(6-fluoro-2-methyl-3-pyridinyl)methyl]amino]-3-ethynyl-4-[[(1R)-1-phenylpropyl]amino]quinoline-8-carbonitrile (PubChem CID 158465250) has the molecular formula C123H118Cl4F6N32S and a molecular weight of 2332.39 g/mol. Its IUPAC name is 8-chloro-4-(3-chloro-4-methylanilino)-6-[[(S)-(6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl)-(3-propan-2-yl-1,2-dihydrotriazol-5-yl)methyl]amino]quinoline-3-carbonitrile;8-chloro-4-(3-chloro-4-methylanilino)-6-[[(R)-(1-methyltriazol-4-yl)-pyridin-3-ylmethyl]amino]quinoline-3-carbonitrile;6-[[(S)-[3-[1-(1,1-difluoroethyl)cyclopropyl]-1,2-dihydrotriazol-5-yl]-(6-fluoro-2-methyl-3-pyridinyl)methyl]amino]-4-(2,2-dimethylpropylamino)-3-ethynylquinoline-8-carbonitrile;6-[[(S)-[3-[1-(difluoromethyl)cyclopropyl]-1,2-dihydrotriazol-5-yl]-(6-fluoro-2-methyl-3-pyridinyl)methyl]amino]-3-ethynyl-4-[[(1R)-1-phenylpropyl]amino]quinoline-8-carbonitrile.

Molecular Properties

• Compound Name: 8-chloro-4-(3-chloro-4-methylanilino)-6-[[(S)-(6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl)-(3-propan-2-yl-1,2-dihydrotriazol-5-yl)methyl]amino]quinoline-3-carbonitrile;8-chloro-4-(3-chloro-4-methylanilino)-6-[[(R)-(1-methyltriazol-4-yl)-pyridin-3-ylmethyl]amino]quinoline-3-carbonitrile;6-[[(S)-[3-[1-(1,1-difluoroethyl)cyclopropyl]-1,2-dihydrotriazol-5-yl]-(6-fluoro-2-methyl-3-pyridinyl)methyl]amino]-4-(2,2-dimethylpropylamino)-3-ethynylquinoline-8-carbonitrile;6-[[(S)-[3-[1-(difluoromethyl)cyclopropyl]-1,2-dihydrotriazol-5-yl]-(6-fluoro-2-methyl-3-pyridinyl)methyl]amino]-3-ethynyl-4-[[(1R)-1-phenylpropyl]amino]quinoline-8-carbonitrile
• PubChem CID: 158465250
• Molecular Formula: C123H118Cl4F6N32S
• Molecular Weight: 2332.39 g/mol
• Exact Mass: 2328.86
• IUPAC Name: 8-chloro-4-(3-chloro-4-methylanilino)-6-[[(S)-(6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl)-(3-propan-2-yl-1,2-dihydrotriazol-5-yl)methyl]amino]quinoline-3-carbonitrile;8-chloro-4-(3-chloro-4-methylanilino)-6-[[(R)-(1-methyltriazol-4-yl)-pyridin-3-ylmethyl]amino]quinoline-3-carbonitrile;6-[[(S)-[3-[1-(1,1-difluoroethyl)cyclopropyl]-1,2-dihydrotriazol-5-yl]-(6-fluoro-2-methyl-3-pyridinyl)methyl]amino]-4-(2,2-dimethylpropylamino)-3-ethynylquinoline-8-carbonitrile;6-[[(S)-[3-[1-(difluoromethyl)cyclopropyl]-1,2-dihydrotriazol-5-yl]-(6-fluoro-2-methyl-3-pyridinyl)methyl]amino]-3-ethynyl-4-[[(1R)-1-phenylpropyl]amino]quinoline-8-carbonitrile
• SMILES: C#Cc1cnc2c(C#N)cc(N[C@H](C3=CN(C4(C(C)(F)F)CC4)NN3)c3ccc(F)nc3C)cc2c1NCC(C)(C)C.C#Cc1cnc2c(C#N)cc(N[C@H](C3=CN(C4(C(F)F)CC4)NN3)c3ccc(F)nc3C)cc2c1N[C@H](CC)c1ccccc1.CCN1CCc2c([C@H](Nc3cc(Cl)c4ncc(C#N)c(Nc5ccc(C)c(Cl)c5)c4c3)C3=CN(C(C)C)NN3)csc2C1.Cc1ccc(Nc2c(C#N)cnc3c(Cl)cc(N[C@H](c4cccnc4)c4cn(C)nn4)cc23)cc1Cl
• InChI: InChI=1S/C34H31F3N8.C32H34Cl2N8S.C31H33F3N8.C26H20Cl2N8/c1-4-21-18-39-30-23(17-38)15-24(16-26(30)31(21)42-27(5-2)22-9-7-6-8-10-22)41-32(25-11-12-29(35)40-20(25)3)28-19-45(44-43-28)34(13-14-34)33(36)37;1-5-41-9-8-23-25(17-43-29(23)16-41)32(28-15-42(18(2)3)40-39-28)38-22-10-24-30(37-21-7-6-19(4)26(33)11-21)20(13-35)14-36-31(24)27(34)12-22;1-7-19-15-36-27-20(14-35)12-21(13-23(27)26(19)37-17-29(3,4)5)39-28(22-8-9-25(32)38-18(22)2)24-16-42(41-40-24)31(10-11-31)30(6,33)34;1-15-5-6-18(9-21(15)27)32-24-17(11-29)13-31-26-20(24)8-19(10-22(26)28)33-25(16-4-3-7-30-12-16)23-14-36(2)35-34-23/h1,6-12,15-16,18-19,27,32-33,41,43-44H,5,13-14H2,2-3H3,(H,39,42);6-7,10-12,14-15,17-18,32,38-40H,5,8-9,16H2,1-4H3,(H,36,37);1,8-9,12-13,15-16,28,39-41H,10-11,17H2,2-6H3,(H,36,37);3-10,12-14,25,33H,1-2H3,(H,31,32)/t27-,32+;32-;28-;25-/m1001/s1
• InChIKey: HFRDAOXINPTJPC-NUVPLOCDSA-N
• XLogP: 26.33
• TPSA: 397.48 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 33
• Rotatable Bonds: 32
• Heavy Atoms: 166
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2332.39
LogP ≤ 5	26.33
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 8-chloro-4-(3-chloro-4-methylanilino)-6-[[(S)-(6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl)-(3-propan-2-yl-1,2-dihydrotriazol-5-yl)methyl]amino]quinoline-3-carbonitrile;8-chloro-4-(3-chloro-4-methylanilino)-6-[[(R)-(1-methyltriazol-4-yl)-pyridin-3-ylmethyl]amino]quinoline-3-carbonitrile;6-[[(S)-[3-[1-(1,1-difluoroethyl)cyclopropyl]-1,2-dihydrotriazol-5-yl]-(6-fluoro-2-methyl-3-pyridinyl)methyl]amino]-4-(2,2-dimethylpropylamino)-3-ethynylquinoline-8-carbonitrile;6-[[(S)-[3-[1-(difluoromethyl)cyclopropyl]-1,2-dihydrotriazol-5-yl]-(6-fluoro-2-methyl-3-pyridinyl)methyl]amino]-3-ethynyl-4-[[(1R)-1-phenylpropyl]amino]quinoline-8-carbonitrile?

The IUPAC name of 8-chloro-4-(3-chloro-4-methylanilino)-6-[[(S)-(6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl)-(3-propan-2-yl-1,2-dihydrotriazol-5-yl)methyl]amino]quinoline-3-carbonitrile;8-chloro-4-(3-chloro-4-methylanilino)-6-[[(R)-(1-methyltriazol-4-yl)-pyridin-3-ylmethyl]amino]quinoline-3-carbonitrile;6-[[(S)-[3-[1-(1,1-difluoroethyl)cyclopropyl]-1,2-dihydrotriazol-5-yl]-(6-fluoro-2-methyl-3-pyridinyl)methyl]amino]-4-(2,2-dimethylpropylamino)-3-ethynylquinoline-8-carbonitrile;6-[[(S)-[3-[1-(difluoromethyl)cyclopropyl]-1,2-dihydrotriazol-5-yl]-(6-fluoro-2-methyl-3-pyridinyl)methyl]amino]-3-ethynyl-4-[[(1R)-1-phenylpropyl]amino]quinoline-8-carbonitrile (CID 158465250) is 8-chloro-4-(3-chloro-4-methylanilino)-6-[[(S)-(6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl)-(3-propan-2-yl-1,2-dihydrotriazol-5-yl)methyl]amino]quinoline-3-carbonitrile;8-chloro-4-(3-chloro-4-methylanilino)-6-[[(R)-(1-methyltriazol-4-yl)-pyridin-3-ylmethyl]amino]quinoline-3-carbonitrile;6-[[(S)-[3-[1-(1,1-difluoroethyl)cyclopropyl]-1,2-dihydrotriazol-5-yl]-(6-fluoro-2-methyl-3-pyridinyl)methyl]amino]-4-(2,2-dimethylpropylamino)-3-ethynylquinoline-8-carbonitrile;6-[[(S)-[3-[1-(difluoromethyl)cyclopropyl]-1,2-dihydrotriazol-5-yl]-(6-fluoro-2-methyl-3-pyridinyl)methyl]amino]-3-ethynyl-4-[[(1R)-1-phenylpropyl]amino]quinoline-8-carbonitrile.

What is the SMILES notation for 8-chloro-4-(3-chloro-4-methylanilino)-6-[[(S)-(6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl)-(3-propan-2-yl-1,2-dihydrotriazol-5-yl)methyl]amino]quinoline-3-carbonitrile;8-chloro-4-(3-chloro-4-methylanilino)-6-[[(R)-(1-methyltriazol-4-yl)-pyridin-3-ylmethyl]amino]quinoline-3-carbonitrile;6-[[(S)-[3-[1-(1,1-difluoroethyl)cyclopropyl]-1,2-dihydrotriazol-5-yl]-(6-fluoro-2-methyl-3-pyridinyl)methyl]amino]-4-(2,2-dimethylpropylamino)-3-ethynylquinoline-8-carbonitrile;6-[[(S)-[3-[1-(difluoromethyl)cyclopropyl]-1,2-dihydrotriazol-5-yl]-(6-fluoro-2-methyl-3-pyridinyl)methyl]amino]-3-ethynyl-4-[[(1R)-1-phenylpropyl]amino]quinoline-8-carbonitrile?

The canonical SMILES for 8-chloro-4-(3-chloro-4-methylanilino)-6-[[(S)-(6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl)-(3-propan-2-yl-1,2-dihydrotriazol-5-yl)methyl]amino]quinoline-3-carbonitrile;8-chloro-4-(3-chloro-4-methylanilino)-6-[[(R)-(1-methyltriazol-4-yl)-pyridin-3-ylmethyl]amino]quinoline-3-carbonitrile;6-[[(S)-[3-[1-(1,1-difluoroethyl)cyclopropyl]-1,2-dihydrotriazol-5-yl]-(6-fluoro-2-methyl-3-pyridinyl)methyl]amino]-4-(2,2-dimethylpropylamino)-3-ethynylquinoline-8-carbonitrile;6-[[(S)-[3-[1-(difluoromethyl)cyclopropyl]-1,2-dihydrotriazol-5-yl]-(6-fluoro-2-methyl-3-pyridinyl)methyl]amino]-3-ethynyl-4-[[(1R)-1-phenylpropyl]amino]quinoline-8-carbonitrile is C#Cc1cnc2c(C#N)cc(N[C@H](C3=CN(C4(C(C)(F)F)CC4)NN3)c3ccc(F)nc3C)cc2c1NCC(C)(C)C.C#Cc1cnc2c(C#N)cc(N[C@H](C3=CN(C4(C(F)F)CC4)NN3)c3ccc(F)nc3C)cc2c1N[C@H](CC)c1ccccc1.CCN1CCc2c([C@H](Nc3cc(Cl)c4ncc(C#N)c(Nc5ccc(C)c(Cl)c5)c4c3)C3=CN(C(C)C)NN3)csc2C1.Cc1ccc(Nc2c(C#N)cnc3c(Cl)cc(N[C@H](c4cccnc4)c4cn(C)nn4)cc23)cc1Cl.

What is the InChIKey of 8-chloro-4-(3-chloro-4-methylanilino)-6-[[(S)-(6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl)-(3-propan-2-yl-1,2-dihydrotriazol-5-yl)methyl]amino]quinoline-3-carbonitrile;8-chloro-4-(3-chloro-4-methylanilino)-6-[[(R)-(1-methyltriazol-4-yl)-pyridin-3-ylmethyl]amino]quinoline-3-carbonitrile;6-[[(S)-[3-[1-(1,1-difluoroethyl)cyclopropyl]-1,2-dihydrotriazol-5-yl]-(6-fluoro-2-methyl-3-pyridinyl)methyl]amino]-4-(2,2-dimethylpropylamino)-3-ethynylquinoline-8-carbonitrile;6-[[(S)-[3-[1-(difluoromethyl)cyclopropyl]-1,2-dihydrotriazol-5-yl]-(6-fluoro-2-methyl-3-pyridinyl)methyl]amino]-3-ethynyl-4-[[(1R)-1-phenylpropyl]amino]quinoline-8-carbonitrile?

The InChIKey is HFRDAOXINPTJPC-NUVPLOCDSA-N. The full InChI is InChI=1S/C34H31F3N8.C32H34Cl2N8S.C31H33F3N8.C26H20Cl2N8/c1-4-21-18-39-30-23(17-38)15-24(16-26(30)31(21)42-27(5-2)22-9-7-6-8-10-22)41-32(25-11-12-29(35)40-20(25)3)28-19-45(44-43-28)34(13-14-34)33(36)37;1-5-41-9-8-23-25(17-43-29(23)16-41)32(28-15-42(18(2)3)40-39-28)38-22-10-24-30(37-21-7-6-19(4)26(33)11-21)20(13-35)14-36-31(24)27(34)12-22;1-7-19-15-36-27-20(14-35)12-21(13-23(27)26(19)37-17-29(3,4)5)39-28(22-8-9-25(32)38-18(22)2)24-16-42(41-40-24)31(10-11-31)30(6,33)34;1-15-5-6-18(9-21(15)27)32-24-17(11-29)13-31-26-20(24)8-19(10-22(26)28)33-25(16-4-3-7-30-12-16)23-14-36(2)35-34-23/h1,6-12,15-16,18-19,27,32-33,41,43-44H,5,13-14H2,2-3H3,(H,39,42);6-7,10-12,14-15,17-18,32,38-40H,5,8-9,16H2,1-4H3,(H,36,37);1,8-9,12-13,15-16,28,39-41H,10-11,17H2,2-6H3,(H,36,37);3-10,12-14,25,33H,1-2H3,(H,31,32)/t27-,32+;32-;28-;25-/m1001/s1.

What are the key properties of 8-chloro-4-(3-chloro-4-methylanilino)-6-[[(S)-(6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl)-(3-propan-2-yl-1,2-dihydrotriazol-5-yl)methyl]amino]quinoline-3-carbonitrile;8-chloro-4-(3-chloro-4-methylanilino)-6-[[(R)-(1-methyltriazol-4-yl)-pyridin-3-ylmethyl]amino]quinoline-3-carbonitrile;6-[[(S)-[3-[1-(1,1-difluoroethyl)cyclopropyl]-1,2-dihydrotriazol-5-yl]-(6-fluoro-2-methyl-3-pyridinyl)methyl]amino]-4-(2,2-dimethylpropylamino)-3-ethynylquinoline-8-carbonitrile;6-[[(S)-[3-[1-(difluoromethyl)cyclopropyl]-1,2-dihydrotriazol-5-yl]-(6-fluoro-2-methyl-3-pyridinyl)methyl]amino]-3-ethynyl-4-[[(1R)-1-phenylpropyl]amino]quinoline-8-carbonitrile?

8-chloro-4-(3-chloro-4-methylanilino)-6-[[(S)-(6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl)-(3-propan-2-yl-1,2-dihydrotriazol-5-yl)methyl]amino]quinoline-3-carbonitrile;8-chloro-4-(3-chloro-4-methylanilino)-6-[[(R)-(1-methyltriazol-4-yl)-pyridin-3-ylmethyl]amino]quinoline-3-carbonitrile;6-[[(S)-[3-[1-(1,1-difluoroethyl)cyclopropyl]-1,2-dihydrotriazol-5-yl]-(6-fluoro-2-methyl-3-pyridinyl)methyl]amino]-4-(2,2-dimethylpropylamino)-3-ethynylquinoline-8-carbonitrile;6-[[(S)-[3-[1-(difluoromethyl)cyclopropyl]-1,2-dihydrotriazol-5-yl]-(6-fluoro-2-methyl-3-pyridinyl)methyl]amino]-3-ethynyl-4-[[(1R)-1-phenylpropyl]amino]quinoline-8-carbonitrile has a molecular weight of 2332.39 g/mol, XLogP of 26.33, 32 rotatable bonds, 14 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 8-chloro-4-(3-chloro-4-methylanilino)-6-[[(S)-(6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl)-(3-propan-2-yl-1,2-dihydrotriazol-5-yl)methyl]amino]quinoline-3-carbonitrile;8-chloro-4-(3-chloro-4-methylanilino)-6-[[(R)-(1-methyltriazol-4-yl)-pyridin-3-ylmethyl]amino]quinoline-3-carbonitrile;6-[[(S)-[3-[1-(1,1-difluoroethyl)cyclopropyl]-1,2-dihydrotriazol-5-yl]-(6-fluoro-2-methyl-3-pyridinyl)methyl]amino]-4-(2,2-dimethylpropylamino)-3-ethynylquinoline-8-carbonitrile;6-[[(S)-[3-[1-(difluoromethyl)cyclopropyl]-1,2-dihydrotriazol-5-yl]-(6-fluoro-2-methyl-3-pyridinyl)methyl]amino]-3-ethynyl-4-[[(1R)-1-phenylpropyl]amino]quinoline-8-carbonitrile is sourced from PubChem (CID 158465250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).