8-chloro-4-(3-chloro-4-methylanilino)-6-[[(R)-(2-methylpyrazol-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)-(3-propan-2-yl-1,2-dihydrotriazol-5-yl)-(1,3-thiazol-5-yl)methyl]amino]quinoline-3-carbonitrile;5-[(S)-[[8-chloro-4-(2,2-dimethylpropylamino)-3-ethynylquinolin-6-yl]amino]-(3-cyclobutyl-1,2-dihydrotriazol-5-yl)methyl]-2-methylisoquinolin-1-one;8-chloro-4-N-(2,2-dimethylpropyl)-3-ethynyl-6-N-[(S)-(6-methyl-3-pyridinyl)-[3-[1-(trifluoromethyl)cyclopropyl]-1,2-dihydrotriazol-5-yl]methyl]quinoline-4,6-diamine

C115H118Cl6F3N31OS — CID 160870085

About 8-chloro-4-(3-chloro-4-methylanilino)-6-[[(R)-(2-methylpyrazol-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)-(3-propan-2-yl-1,2-dihydrotriazol-5-yl)-(1,3-thiazol-5-yl)methyl]amino]quinoline-3-carbonitrile;5-[(S)-[[8-chloro-4-(2,2-dimethylpropylamino)-3-ethynylquinolin-6-yl]amino]-(3-cyclobutyl-1,2-dihydrotriazol-5-yl)methyl]-2-methylisoquinolin-1-one;8-chloro-4-N-(2,2-dimethylpropyl)-3-ethynyl-6-N-[(S)-(6-methyl-3-pyridinyl)-[3-[1-(trifluoromethyl)cyclopropyl]-1,2-dihydrotriazol-5-yl]methyl]quinoline-4,6-diamine

8-chloro-4-(3-chloro-4-methylanilino)-6-[[(R)-(2-methylpyrazol-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)-(3-propan-2-yl-1,2-dihydrotriazol-5-yl)-(1,3-thiazol-5-yl)methyl]amino]quinoline-3-carbonitrile;5-[(S)-[[8-chloro-4-(2,2-dimethylpropylamino)-3-ethynylquinolin-6-yl]amino]-(3-cyclobutyl-1,2-dihydrotriazol-5-yl)methyl]-2-methylisoquinolin-1-one;8-chloro-4-N-(2,2-dimethylpropyl)-3-ethynyl-6-N-[(S)-(6-methyl-3-pyridinyl)-[3-[1-(trifluoromethyl)cyclopropyl]-1,2-dihydrotriazol-5-yl]methyl]quinoline-4,6-diamine (PubChem CID 160870085) has the molecular formula C115H118Cl6F3N31OS and a molecular weight of 2252.20 g/mol. Its IUPAC name is 8-chloro-4-(3-chloro-4-methylanilino)-6-[[(R)-(2-methylpyrazol-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)-(3-propan-2-yl-1,2-dihydrotriazol-5-yl)-(1,3-thiazol-5-yl)methyl]amino]quinoline-3-carbonitrile;5-[(S)-[[8-chloro-4-(2,2-dimethylpropylamino)-3-ethynylquinolin-6-yl]amino]-(3-cyclobutyl-1,2-dihydrotriazol-5-yl)methyl]-2-methylisoquinolin-1-one;8-chloro-4-N-(2,2-dimethylpropyl)-3-ethynyl-6-N-[(S)-(6-methyl-3-pyridinyl)-[3-[1-(trifluoromethyl)cyclopropyl]-1,2-dihydrotriazol-5-yl]methyl]quinoline-4,6-diamine.

Molecular Properties

• Compound Name: 8-chloro-4-(3-chloro-4-methylanilino)-6-[[(R)-(2-methylpyrazol-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)-(3-propan-2-yl-1,2-dihydrotriazol-5-yl)-(1,3-thiazol-5-yl)methyl]amino]quinoline-3-carbonitrile;5-[(S)-[[8-chloro-4-(2,2-dimethylpropylamino)-3-ethynylquinolin-6-yl]amino]-(3-cyclobutyl-1,2-dihydrotriazol-5-yl)methyl]-2-methylisoquinolin-1-one;8-chloro-4-N-(2,2-dimethylpropyl)-3-ethynyl-6-N-[(S)-(6-methyl-3-pyridinyl)-[3-[1-(trifluoromethyl)cyclopropyl]-1,2-dihydrotriazol-5-yl]methyl]quinoline-4,6-diamine
• PubChem CID: 160870085
• Molecular Formula: C115H118Cl6F3N31OS
• Molecular Weight: 2252.20 g/mol
• Exact Mass: 2247.79
• IUPAC Name: 8-chloro-4-(3-chloro-4-methylanilino)-6-[[(R)-(2-methylpyrazol-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)-(3-propan-2-yl-1,2-dihydrotriazol-5-yl)-(1,3-thiazol-5-yl)methyl]amino]quinoline-3-carbonitrile;5-[(S)-[[8-chloro-4-(2,2-dimethylpropylamino)-3-ethynylquinolin-6-yl]amino]-(3-cyclobutyl-1,2-dihydrotriazol-5-yl)methyl]-2-methylisoquinolin-1-one;8-chloro-4-N-(2,2-dimethylpropyl)-3-ethynyl-6-N-[(S)-(6-methyl-3-pyridinyl)-[3-[1-(trifluoromethyl)cyclopropyl]-1,2-dihydrotriazol-5-yl]methyl]quinoline-4,6-diamine
• SMILES: C#Cc1cnc2c(Cl)cc(N[C@H](C3=CN(C4(C(F)(F)F)CC4)NN3)c3ccc(C)nc3)cc2c1NCC(C)(C)C.C#Cc1cnc2c(Cl)cc(N[C@H](C3=CN(C4CCC4)NN3)c3cccc4c(=O)n(C)ccc34)cc2c1NCC(C)(C)C.Cc1ccc(Nc2c(C#N)cnc3c(Cl)cc(N[C@H](C4=CN(C(C)C)NN4)c4ccnn4C)cc23)cc1Cl.Cc1ccc(Nc2c(C#N)cnc3c(Cl)cc(N[C@H](C4=CN(C(C)C)NN4)c4cncs4)cc23)cc1Cl
• InChI: InChI=1S/C33H36ClN7O.C29H31ClF3N7.C27H27Cl2N9.C26H24Cl2N8S/c1-6-20-17-35-30-26(29(20)36-19-33(2,3)4)15-21(16-27(30)34)37-31(28-18-41(39-38-28)22-9-7-10-22)24-11-8-12-25-23(24)13-14-40(5)32(25)42;1-6-18-13-35-26-21(24(18)36-16-27(3,4)5)11-20(12-22(26)30)37-25(19-8-7-17(2)34-14-19)23-15-40(39-38-23)28(9-10-28)29(31,32)33;1-15(2)38-14-23(35-36-38)27(24-7-8-32-37(24)4)34-19-9-20-25(33-18-6-5-16(3)21(28)10-18)17(12-30)13-31-26(20)22(29)11-19;1-14(2)36-12-22(34-35-36)26(23-11-30-13-37-23)33-18-6-19-24(32-17-5-4-15(3)20(27)7-17)16(9-29)10-31-25(19)21(28)8-18/h1,8,11-18,22,31,37-39H,7,9-10,19H2,2-5H3,(H,35,36);1,7-8,11-15,25,37-39H,9-10,16H2,2-5H3,(H,35,36);5-11,13-15,27,34-36H,1-4H3,(H,31,33);4-8,10-14,26,33-35H,1-3H3,(H,31,32)/t31-;25-;27-;26-/m0011/s1
• InChIKey: SLQIYZVRJNMYPI-FGHWNCLCSA-N
• XLogP: 25.07
• TPSA: 370.18 Ų
• H-Bond Donors: 16
• H-Bond Acceptors: 33
• Rotatable Bonds: 28
• Heavy Atoms: 157
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2252.20
LogP ≤ 5	25.07
H-Bond Donors ≤ 5	16
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 8-chloro-4-(3-chloro-4-methylanilino)-6-[[(R)-(2-methylpyrazol-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)-(3-propan-2-yl-1,2-dihydrotriazol-5-yl)-(1,3-thiazol-5-yl)methyl]amino]quinoline-3-carbonitrile;5-[(S)-[[8-chloro-4-(2,2-dimethylpropylamino)-3-ethynylquinolin-6-yl]amino]-(3-cyclobutyl-1,2-dihydrotriazol-5-yl)methyl]-2-methylisoquinolin-1-one;8-chloro-4-N-(2,2-dimethylpropyl)-3-ethynyl-6-N-[(S)-(6-methyl-3-pyridinyl)-[3-[1-(trifluoromethyl)cyclopropyl]-1,2-dihydrotriazol-5-yl]methyl]quinoline-4,6-diamine?

The IUPAC name of 8-chloro-4-(3-chloro-4-methylanilino)-6-[[(R)-(2-methylpyrazol-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)-(3-propan-2-yl-1,2-dihydrotriazol-5-yl)-(1,3-thiazol-5-yl)methyl]amino]quinoline-3-carbonitrile;5-[(S)-[[8-chloro-4-(2,2-dimethylpropylamino)-3-ethynylquinolin-6-yl]amino]-(3-cyclobutyl-1,2-dihydrotriazol-5-yl)methyl]-2-methylisoquinolin-1-one;8-chloro-4-N-(2,2-dimethylpropyl)-3-ethynyl-6-N-[(S)-(6-methyl-3-pyridinyl)-[3-[1-(trifluoromethyl)cyclopropyl]-1,2-dihydrotriazol-5-yl]methyl]quinoline-4,6-diamine (CID 160870085) is 8-chloro-4-(3-chloro-4-methylanilino)-6-[[(R)-(2-methylpyrazol-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)-(3-propan-2-yl-1,2-dihydrotriazol-5-yl)-(1,3-thiazol-5-yl)methyl]amino]quinoline-3-carbonitrile;5-[(S)-[[8-chloro-4-(2,2-dimethylpropylamino)-3-ethynylquinolin-6-yl]amino]-(3-cyclobutyl-1,2-dihydrotriazol-5-yl)methyl]-2-methylisoquinolin-1-one;8-chloro-4-N-(2,2-dimethylpropyl)-3-ethynyl-6-N-[(S)-(6-methyl-3-pyridinyl)-[3-[1-(trifluoromethyl)cyclopropyl]-1,2-dihydrotriazol-5-yl]methyl]quinoline-4,6-diamine.

What is the SMILES notation for 8-chloro-4-(3-chloro-4-methylanilino)-6-[[(R)-(2-methylpyrazol-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)-(3-propan-2-yl-1,2-dihydrotriazol-5-yl)-(1,3-thiazol-5-yl)methyl]amino]quinoline-3-carbonitrile;5-[(S)-[[8-chloro-4-(2,2-dimethylpropylamino)-3-ethynylquinolin-6-yl]amino]-(3-cyclobutyl-1,2-dihydrotriazol-5-yl)methyl]-2-methylisoquinolin-1-one;8-chloro-4-N-(2,2-dimethylpropyl)-3-ethynyl-6-N-[(S)-(6-methyl-3-pyridinyl)-[3-[1-(trifluoromethyl)cyclopropyl]-1,2-dihydrotriazol-5-yl]methyl]quinoline-4,6-diamine?

The canonical SMILES for 8-chloro-4-(3-chloro-4-methylanilino)-6-[[(R)-(2-methylpyrazol-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)-(3-propan-2-yl-1,2-dihydrotriazol-5-yl)-(1,3-thiazol-5-yl)methyl]amino]quinoline-3-carbonitrile;5-[(S)-[[8-chloro-4-(2,2-dimethylpropylamino)-3-ethynylquinolin-6-yl]amino]-(3-cyclobutyl-1,2-dihydrotriazol-5-yl)methyl]-2-methylisoquinolin-1-one;8-chloro-4-N-(2,2-dimethylpropyl)-3-ethynyl-6-N-[(S)-(6-methyl-3-pyridinyl)-[3-[1-(trifluoromethyl)cyclopropyl]-1,2-dihydrotriazol-5-yl]methyl]quinoline-4,6-diamine is C#Cc1cnc2c(Cl)cc(N[C@H](C3=CN(C4(C(F)(F)F)CC4)NN3)c3ccc(C)nc3)cc2c1NCC(C)(C)C.C#Cc1cnc2c(Cl)cc(N[C@H](C3=CN(C4CCC4)NN3)c3cccc4c(=O)n(C)ccc34)cc2c1NCC(C)(C)C.Cc1ccc(Nc2c(C#N)cnc3c(Cl)cc(N[C@H](C4=CN(C(C)C)NN4)c4ccnn4C)cc23)cc1Cl.Cc1ccc(Nc2c(C#N)cnc3c(Cl)cc(N[C@H](C4=CN(C(C)C)NN4)c4cncs4)cc23)cc1Cl.

What is the InChIKey of 8-chloro-4-(3-chloro-4-methylanilino)-6-[[(R)-(2-methylpyrazol-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)-(3-propan-2-yl-1,2-dihydrotriazol-5-yl)-(1,3-thiazol-5-yl)methyl]amino]quinoline-3-carbonitrile;5-[(S)-[[8-chloro-4-(2,2-dimethylpropylamino)-3-ethynylquinolin-6-yl]amino]-(3-cyclobutyl-1,2-dihydrotriazol-5-yl)methyl]-2-methylisoquinolin-1-one;8-chloro-4-N-(2,2-dimethylpropyl)-3-ethynyl-6-N-[(S)-(6-methyl-3-pyridinyl)-[3-[1-(trifluoromethyl)cyclopropyl]-1,2-dihydrotriazol-5-yl]methyl]quinoline-4,6-diamine?

The InChIKey is SLQIYZVRJNMYPI-FGHWNCLCSA-N. The full InChI is InChI=1S/C33H36ClN7O.C29H31ClF3N7.C27H27Cl2N9.C26H24Cl2N8S/c1-6-20-17-35-30-26(29(20)36-19-33(2,3)4)15-21(16-27(30)34)37-31(28-18-41(39-38-28)22-9-7-10-22)24-11-8-12-25-23(24)13-14-40(5)32(25)42;1-6-18-13-35-26-21(24(18)36-16-27(3,4)5)11-20(12-22(26)30)37-25(19-8-7-17(2)34-14-19)23-15-40(39-38-23)28(9-10-28)29(31,32)33;1-15(2)38-14-23(35-36-38)27(24-7-8-32-37(24)4)34-19-9-20-25(33-18-6-5-16(3)21(28)10-18)17(12-30)13-31-26(20)22(29)11-19;1-14(2)36-12-22(34-35-36)26(23-11-30-13-37-23)33-18-6-19-24(32-17-5-4-15(3)20(27)7-17)16(9-29)10-31-25(19)21(28)8-18/h1,8,11-18,22,31,37-39H,7,9-10,19H2,2-5H3,(H,35,36);1,7-8,11-15,25,37-39H,9-10,16H2,2-5H3,(H,35,36);5-11,13-15,27,34-36H,1-4H3,(H,31,33);4-8,10-14,26,33-35H,1-3H3,(H,31,32)/t31-;25-;27-;26-/m0011/s1.

What are the key properties of 8-chloro-4-(3-chloro-4-methylanilino)-6-[[(R)-(2-methylpyrazol-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)-(3-propan-2-yl-1,2-dihydrotriazol-5-yl)-(1,3-thiazol-5-yl)methyl]amino]quinoline-3-carbonitrile;5-[(S)-[[8-chloro-4-(2,2-dimethylpropylamino)-3-ethynylquinolin-6-yl]amino]-(3-cyclobutyl-1,2-dihydrotriazol-5-yl)methyl]-2-methylisoquinolin-1-one;8-chloro-4-N-(2,2-dimethylpropyl)-3-ethynyl-6-N-[(S)-(6-methyl-3-pyridinyl)-[3-[1-(trifluoromethyl)cyclopropyl]-1,2-dihydrotriazol-5-yl]methyl]quinoline-4,6-diamine?

8-chloro-4-(3-chloro-4-methylanilino)-6-[[(R)-(2-methylpyrazol-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)-(3-propan-2-yl-1,2-dihydrotriazol-5-yl)-(1,3-thiazol-5-yl)methyl]amino]quinoline-3-carbonitrile;5-[(S)-[[8-chloro-4-(2,2-dimethylpropylamino)-3-ethynylquinolin-6-yl]amino]-(3-cyclobutyl-1,2-dihydrotriazol-5-yl)methyl]-2-methylisoquinolin-1-one;8-chloro-4-N-(2,2-dimethylpropyl)-3-ethynyl-6-N-[(S)-(6-methyl-3-pyridinyl)-[3-[1-(trifluoromethyl)cyclopropyl]-1,2-dihydrotriazol-5-yl]methyl]quinoline-4,6-diamine has a molecular weight of 2252.20 g/mol, XLogP of 25.07, 28 rotatable bonds, 16 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-[[(R)-(2-methylpyrazol-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)-(3-propan-2-yl-1,2-dihydrotriazol-5-yl)-(1,3-thiazol-5-yl)methyl]amino]quinoline-3-carbonitrile;5-[(S)-[[8-chloro-4-(2,2-dimethylpropylamino)-3-ethynylquinolin-6-yl]amino]-(3-cyclobutyl-1,2-dihydrotriazol-5-yl)methyl]-2-methylisoquinolin-1-one;8-chloro-4-N-(2,2-dimethylpropyl)-3-ethynyl-6-N-[(S)-(6-methyl-3-pyridinyl)-[3-[1-(trifluoromethyl)cyclopropyl]-1,2-dihydrotriazol-5-yl]methyl]quinoline-4,6-diamine is sourced from PubChem (CID 160870085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).