8-chloro-4-(3-chloro-4-methylanilino)-6-[[(S)-(3-propan-2-yl-1,2-dihydrotriazol-5-yl)-[5-(pyrrolidine-1-carbonyl)-3-pyridinyl]methyl]amino]quinoline-3-carbonitrile;8-chloro-6-N-[(S)-2,3-dihydro-1H-benzotriazol-4-yl-[3-[1-(trifluoromethyl)cyclopropyl]-1,2-dihydrotriazol-5-yl]methyl]-4-N-(2,2-dimethylpropyl)-3-ethynylquinoline-4,6-diamine;8-chloro-4-N-(2,2-dimethylpropyl)-3-ethynyl-6-N-[(S)-(1-methylindazol-7-yl)-[3-[1-(trifluoromethyl)cyclopropyl]-1,2-dihydrotriazol-5-yl]methyl]quinoline-4,6-diamine;3-ethynyl-6-[[(S)-(6-fluoro-3-pyridinyl)-(3-methyl-1,2-dihydrotriazol-5-yl)methyl]amino]-4-[[(1R)-1-phenylpropyl]amino]quinoline-8-carbonitrile

C123H123Cl4F7N34O — CID 158422941

About 8-chloro-4-(3-chloro-4-methylanilino)-6-[[(S)-(3-propan-2-yl-1,2-dihydrotriazol-5-yl)-[5-(pyrrolidine-1-carbonyl)-3-pyridinyl]methyl]amino]quinoline-3-carbonitrile;8-chloro-6-N-[(S)-2,3-dihydro-1H-benzotriazol-4-yl-[3-[1-(trifluoromethyl)cyclopropyl]-1,2-dihydrotriazol-5-yl]methyl]-4-N-(2,2-dimethylpropyl)-3-ethynylquinoline-4,6-diamine;8-chloro-4-N-(2,2-dimethylpropyl)-3-ethynyl-6-N-[(S)-(1-methylindazol-7-yl)-[3-[1-(trifluoromethyl)cyclopropyl]-1,2-dihydrotriazol-5-yl]methyl]quinoline-4,6-diamine;3-ethynyl-6-[[(S)-(6-fluoro-3-pyridinyl)-(3-methyl-1,2-dihydrotriazol-5-yl)methyl]amino]-4-[[(1R)-1-phenylpropyl]amino]quinoline-8-carbonitrile

8-chloro-4-(3-chloro-4-methylanilino)-6-[[(S)-(3-propan-2-yl-1,2-dihydrotriazol-5-yl)-[5-(pyrrolidine-1-carbonyl)-3-pyridinyl]methyl]amino]quinoline-3-carbonitrile;8-chloro-6-N-[(S)-2,3-dihydro-1H-benzotriazol-4-yl-[3-[1-(trifluoromethyl)cyclopropyl]-1,2-dihydrotriazol-5-yl]methyl]-4-N-(2,2-dimethylpropyl)-3-ethynylquinoline-4,6-diamine;8-chloro-4-N-(2,2-dimethylpropyl)-3-ethynyl-6-N-[(S)-(1-methylindazol-7-yl)-[3-[1-(trifluoromethyl)cyclopropyl]-1,2-dihydrotriazol-5-yl]methyl]quinoline-4,6-diamine;3-ethynyl-6-[[(S)-(6-fluoro-3-pyridinyl)-(3-methyl-1,2-dihydrotriazol-5-yl)methyl]amino]-4-[[(1R)-1-phenylpropyl]amino]quinoline-8-carbonitrile (PubChem CID 158422941) has the molecular formula C123H123Cl4F7N34O and a molecular weight of 2368.37 g/mol. Its IUPAC name is 8-chloro-4-(3-chloro-4-methylanilino)-6-[[(S)-(3-propan-2-yl-1,2-dihydrotriazol-5-yl)-[5-(pyrrolidine-1-carbonyl)-3-pyridinyl]methyl]amino]quinoline-3-carbonitrile;8-chloro-6-N-[(S)-2,3-dihydro-1H-benzotriazol-4-yl-[3-[1-(trifluoromethyl)cyclopropyl]-1,2-dihydrotriazol-5-yl]methyl]-4-N-(2,2-dimethylpropyl)-3-ethynylquinoline-4,6-diamine;8-chloro-4-N-(2,2-dimethylpropyl)-3-ethynyl-6-N-[(S)-(1-methylindazol-7-yl)-[3-[1-(trifluoromethyl)cyclopropyl]-1,2-dihydrotriazol-5-yl]methyl]quinoline-4,6-diamine;3-ethynyl-6-[[(S)-(6-fluoro-3-pyridinyl)-(3-methyl-1,2-dihydrotriazol-5-yl)methyl]amino]-4-[[(1R)-1-phenylpropyl]amino]quinoline-8-carbonitrile.

Molecular Properties

• Compound Name: 8-chloro-4-(3-chloro-4-methylanilino)-6-[[(S)-(3-propan-2-yl-1,2-dihydrotriazol-5-yl)-[5-(pyrrolidine-1-carbonyl)-3-pyridinyl]methyl]amino]quinoline-3-carbonitrile;8-chloro-6-N-[(S)-2,3-dihydro-1H-benzotriazol-4-yl-[3-[1-(trifluoromethyl)cyclopropyl]-1,2-dihydrotriazol-5-yl]methyl]-4-N-(2,2-dimethylpropyl)-3-ethynylquinoline-4,6-diamine;8-chloro-4-N-(2,2-dimethylpropyl)-3-ethynyl-6-N-[(S)-(1-methylindazol-7-yl)-[3-[1-(trifluoromethyl)cyclopropyl]-1,2-dihydrotriazol-5-yl]methyl]quinoline-4,6-diamine;3-ethynyl-6-[[(S)-(6-fluoro-3-pyridinyl)-(3-methyl-1,2-dihydrotriazol-5-yl)methyl]amino]-4-[[(1R)-1-phenylpropyl]amino]quinoline-8-carbonitrile
• PubChem CID: 158422941
• Molecular Formula: C123H123Cl4F7N34O
• Molecular Weight: 2368.37 g/mol
• Exact Mass: 2364.93
• IUPAC Name: 8-chloro-4-(3-chloro-4-methylanilino)-6-[[(S)-(3-propan-2-yl-1,2-dihydrotriazol-5-yl)-[5-(pyrrolidine-1-carbonyl)-3-pyridinyl]methyl]amino]quinoline-3-carbonitrile;8-chloro-6-N-[(S)-2,3-dihydro-1H-benzotriazol-4-yl-[3-[1-(trifluoromethyl)cyclopropyl]-1,2-dihydrotriazol-5-yl]methyl]-4-N-(2,2-dimethylpropyl)-3-ethynylquinoline-4,6-diamine;8-chloro-4-N-(2,2-dimethylpropyl)-3-ethynyl-6-N-[(S)-(1-methylindazol-7-yl)-[3-[1-(trifluoromethyl)cyclopropyl]-1,2-dihydrotriazol-5-yl]methyl]quinoline-4,6-diamine;3-ethynyl-6-[[(S)-(6-fluoro-3-pyridinyl)-(3-methyl-1,2-dihydrotriazol-5-yl)methyl]amino]-4-[[(1R)-1-phenylpropyl]amino]quinoline-8-carbonitrile
• SMILES: C#Cc1cnc2c(C#N)cc(N[C@H](C3=CN(C)NN3)c3ccc(F)nc3)cc2c1N[C@H](CC)c1ccccc1.C#Cc1cnc2c(Cl)cc(N[C@H](C3=CN(C4(C(F)(F)F)CC4)NN3)c3cccc4c3NNN4)cc2c1NCC(C)(C)C.C#Cc1cnc2c(Cl)cc(N[C@H](C3=CN(C4(C(F)(F)F)CC4)NN3)c3cccc4cnn(C)c34)cc2c1NCC(C)(C)C.Cc1ccc(Nc2c(C#N)cnc3c(Cl)cc(N[C@H](C4=CN(C(C)C)NN4)c4cncc(C(=O)N5CCCC5)c4)cc23)cc1Cl
• InChI: InChI=1S/C33H33Cl2N9O.C31H32ClF3N8.C30H27FN8.C29H31ClF3N9/c1-19(2)44-18-29(41-42-44)31(21-10-22(16-37-15-21)33(45)43-8-4-5-9-43)40-25-11-26-30(39-24-7-6-20(3)27(34)12-24)23(14-36)17-38-32(26)28(35)13-25;1-6-18-14-36-26-22(25(18)37-17-29(2,3)4)12-20(13-23(26)32)39-27(21-9-7-8-19-15-38-42(5)28(19)21)24-16-43(41-40-24)30(10-11-30)31(33,34)35;1-4-19-16-34-28-22(15-32)13-23(14-24(28)29(19)36-25(5-2)20-9-7-6-8-10-20)35-30(26-18-39(3)38-37-26)21-11-12-27(31)33-17-21;1-5-16-13-34-24-19(23(16)35-15-27(2,3)4)11-17(12-20(24)30)36-25(18-7-6-8-21-26(18)39-40-37-21)22-14-42(41-38-22)28(9-10-28)29(31,32)33/h6-7,10-13,15-19,31,40-42H,4-5,8-9H2,1-3H3,(H,38,39);1,7-9,12-16,27,39-41H,10-11,17H2,2-5H3,(H,36,37);1,6-14,16-18,25,30,35,37-38H,5H2,2-3H3,(H,34,36);1,6-8,11-14,25,36-41H,9-10,15H2,2-4H3,(H,34,35)/t31-;27-;25-,30+;25-/m0010/s1
• InChIKey: HASANOBGQXLHLH-KQKOEDGXSA-N
• XLogP: 24.59
• TPSA: 404.58 Ų
• H-Bond Donors: 19
• H-Bond Acceptors: 34
• Rotatable Bonds: 30
• Heavy Atoms: 169
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2368.37
LogP ≤ 5	24.59
H-Bond Donors ≤ 5	19
H-Bond Acceptors ≤ 10	34

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)-(3-propan-2-yl-1,2-dihydrotriazol-5-yl)-[5-(pyrrolidine-1-carbonyl)-3-pyridinyl]methyl]amino]quinoline-3-carbonitrile;8-chloro-6-N-[(S)-2,3-dihydro-1H-benzotriazol-4-yl-[3-[1-(trifluoromethyl)cyclopropyl]-1,2-dihydrotriazol-5-yl]methyl]-4-N-(2,2-dimethylpropyl)-3-ethynylquinoline-4,6-diamine;8-chloro-4-N-(2,2-dimethylpropyl)-3-ethynyl-6-N-[(S)-(1-methylindazol-7-yl)-[3-[1-(trifluoromethyl)cyclopropyl]-1,2-dihydrotriazol-5-yl]methyl]quinoline-4,6-diamine;3-ethynyl-6-[[(S)-(6-fluoro-3-pyridinyl)-(3-methyl-1,2-dihydrotriazol-5-yl)methyl]amino]-4-[[(1R)-1-phenylpropyl]amino]quinoline-8-carbonitrile?

The IUPAC name of 8-chloro-4-(3-chloro-4-methylanilino)-6-[[(S)-(3-propan-2-yl-1,2-dihydrotriazol-5-yl)-[5-(pyrrolidine-1-carbonyl)-3-pyridinyl]methyl]amino]quinoline-3-carbonitrile;8-chloro-6-N-[(S)-2,3-dihydro-1H-benzotriazol-4-yl-[3-[1-(trifluoromethyl)cyclopropyl]-1,2-dihydrotriazol-5-yl]methyl]-4-N-(2,2-dimethylpropyl)-3-ethynylquinoline-4,6-diamine;8-chloro-4-N-(2,2-dimethylpropyl)-3-ethynyl-6-N-[(S)-(1-methylindazol-7-yl)-[3-[1-(trifluoromethyl)cyclopropyl]-1,2-dihydrotriazol-5-yl]methyl]quinoline-4,6-diamine;3-ethynyl-6-[[(S)-(6-fluoro-3-pyridinyl)-(3-methyl-1,2-dihydrotriazol-5-yl)methyl]amino]-4-[[(1R)-1-phenylpropyl]amino]quinoline-8-carbonitrile (CID 158422941) is 8-chloro-4-(3-chloro-4-methylanilino)-6-[[(S)-(3-propan-2-yl-1,2-dihydrotriazol-5-yl)-[5-(pyrrolidine-1-carbonyl)-3-pyridinyl]methyl]amino]quinoline-3-carbonitrile;8-chloro-6-N-[(S)-2,3-dihydro-1H-benzotriazol-4-yl-[3-[1-(trifluoromethyl)cyclopropyl]-1,2-dihydrotriazol-5-yl]methyl]-4-N-(2,2-dimethylpropyl)-3-ethynylquinoline-4,6-diamine;8-chloro-4-N-(2,2-dimethylpropyl)-3-ethynyl-6-N-[(S)-(1-methylindazol-7-yl)-[3-[1-(trifluoromethyl)cyclopropyl]-1,2-dihydrotriazol-5-yl]methyl]quinoline-4,6-diamine;3-ethynyl-6-[[(S)-(6-fluoro-3-pyridinyl)-(3-methyl-1,2-dihydrotriazol-5-yl)methyl]amino]-4-[[(1R)-1-phenylpropyl]amino]quinoline-8-carbonitrile.

What is the SMILES notation for 8-chloro-4-(3-chloro-4-methylanilino)-6-[[(S)-(3-propan-2-yl-1,2-dihydrotriazol-5-yl)-[5-(pyrrolidine-1-carbonyl)-3-pyridinyl]methyl]amino]quinoline-3-carbonitrile;8-chloro-6-N-[(S)-2,3-dihydro-1H-benzotriazol-4-yl-[3-[1-(trifluoromethyl)cyclopropyl]-1,2-dihydrotriazol-5-yl]methyl]-4-N-(2,2-dimethylpropyl)-3-ethynylquinoline-4,6-diamine;8-chloro-4-N-(2,2-dimethylpropyl)-3-ethynyl-6-N-[(S)-(1-methylindazol-7-yl)-[3-[1-(trifluoromethyl)cyclopropyl]-1,2-dihydrotriazol-5-yl]methyl]quinoline-4,6-diamine;3-ethynyl-6-[[(S)-(6-fluoro-3-pyridinyl)-(3-methyl-1,2-dihydrotriazol-5-yl)methyl]amino]-4-[[(1R)-1-phenylpropyl]amino]quinoline-8-carbonitrile?

The canonical SMILES for 8-chloro-4-(3-chloro-4-methylanilino)-6-[[(S)-(3-propan-2-yl-1,2-dihydrotriazol-5-yl)-[5-(pyrrolidine-1-carbonyl)-3-pyridinyl]methyl]amino]quinoline-3-carbonitrile;8-chloro-6-N-[(S)-2,3-dihydro-1H-benzotriazol-4-yl-[3-[1-(trifluoromethyl)cyclopropyl]-1,2-dihydrotriazol-5-yl]methyl]-4-N-(2,2-dimethylpropyl)-3-ethynylquinoline-4,6-diamine;8-chloro-4-N-(2,2-dimethylpropyl)-3-ethynyl-6-N-[(S)-(1-methylindazol-7-yl)-[3-[1-(trifluoromethyl)cyclopropyl]-1,2-dihydrotriazol-5-yl]methyl]quinoline-4,6-diamine;3-ethynyl-6-[[(S)-(6-fluoro-3-pyridinyl)-(3-methyl-1,2-dihydrotriazol-5-yl)methyl]amino]-4-[[(1R)-1-phenylpropyl]amino]quinoline-8-carbonitrile is C#Cc1cnc2c(C#N)cc(N[C@H](C3=CN(C)NN3)c3ccc(F)nc3)cc2c1N[C@H](CC)c1ccccc1.C#Cc1cnc2c(Cl)cc(N[C@H](C3=CN(C4(C(F)(F)F)CC4)NN3)c3cccc4c3NNN4)cc2c1NCC(C)(C)C.C#Cc1cnc2c(Cl)cc(N[C@H](C3=CN(C4(C(F)(F)F)CC4)NN3)c3cccc4cnn(C)c34)cc2c1NCC(C)(C)C.Cc1ccc(Nc2c(C#N)cnc3c(Cl)cc(N[C@H](C4=CN(C(C)C)NN4)c4cncc(C(=O)N5CCCC5)c4)cc23)cc1Cl.

What is the InChIKey of 8-chloro-4-(3-chloro-4-methylanilino)-6-[[(S)-(3-propan-2-yl-1,2-dihydrotriazol-5-yl)-[5-(pyrrolidine-1-carbonyl)-3-pyridinyl]methyl]amino]quinoline-3-carbonitrile;8-chloro-6-N-[(S)-2,3-dihydro-1H-benzotriazol-4-yl-[3-[1-(trifluoromethyl)cyclopropyl]-1,2-dihydrotriazol-5-yl]methyl]-4-N-(2,2-dimethylpropyl)-3-ethynylquinoline-4,6-diamine;8-chloro-4-N-(2,2-dimethylpropyl)-3-ethynyl-6-N-[(S)-(1-methylindazol-7-yl)-[3-[1-(trifluoromethyl)cyclopropyl]-1,2-dihydrotriazol-5-yl]methyl]quinoline-4,6-diamine;3-ethynyl-6-[[(S)-(6-fluoro-3-pyridinyl)-(3-methyl-1,2-dihydrotriazol-5-yl)methyl]amino]-4-[[(1R)-1-phenylpropyl]amino]quinoline-8-carbonitrile?

The InChIKey is HASANOBGQXLHLH-KQKOEDGXSA-N. The full InChI is InChI=1S/C33H33Cl2N9O.C31H32ClF3N8.C30H27FN8.C29H31ClF3N9/c1-19(2)44-18-29(41-42-44)31(21-10-22(16-37-15-21)33(45)43-8-4-5-9-43)40-25-11-26-30(39-24-7-6-20(3)27(34)12-24)23(14-36)17-38-32(26)28(35)13-25;1-6-18-14-36-26-22(25(18)37-17-29(2,3)4)12-20(13-23(26)32)39-27(21-9-7-8-19-15-38-42(5)28(19)21)24-16-43(41-40-24)30(10-11-30)31(33,34)35;1-4-19-16-34-28-22(15-32)13-23(14-24(28)29(19)36-25(5-2)20-9-7-6-8-10-20)35-30(26-18-39(3)38-37-26)21-11-12-27(31)33-17-21;1-5-16-13-34-24-19(23(16)35-15-27(2,3)4)11-17(12-20(24)30)36-25(18-7-6-8-21-26(18)39-40-37-21)22-14-42(41-38-22)28(9-10-28)29(31,32)33/h6-7,10-13,15-19,31,40-42H,4-5,8-9H2,1-3H3,(H,38,39);1,7-9,12-16,27,39-41H,10-11,17H2,2-5H3,(H,36,37);1,6-14,16-18,25,30,35,37-38H,5H2,2-3H3,(H,34,36);1,6-8,11-14,25,36-41H,9-10,15H2,2-4H3,(H,34,35)/t31-;27-;25-,30+;25-/m0010/s1.

What are the key properties of 8-chloro-4-(3-chloro-4-methylanilino)-6-[[(S)-(3-propan-2-yl-1,2-dihydrotriazol-5-yl)-[5-(pyrrolidine-1-carbonyl)-3-pyridinyl]methyl]amino]quinoline-3-carbonitrile;8-chloro-6-N-[(S)-2,3-dihydro-1H-benzotriazol-4-yl-[3-[1-(trifluoromethyl)cyclopropyl]-1,2-dihydrotriazol-5-yl]methyl]-4-N-(2,2-dimethylpropyl)-3-ethynylquinoline-4,6-diamine;8-chloro-4-N-(2,2-dimethylpropyl)-3-ethynyl-6-N-[(S)-(1-methylindazol-7-yl)-[3-[1-(trifluoromethyl)cyclopropyl]-1,2-dihydrotriazol-5-yl]methyl]quinoline-4,6-diamine;3-ethynyl-6-[[(S)-(6-fluoro-3-pyridinyl)-(3-methyl-1,2-dihydrotriazol-5-yl)methyl]amino]-4-[[(1R)-1-phenylpropyl]amino]quinoline-8-carbonitrile?

8-chloro-4-(3-chloro-4-methylanilino)-6-[[(S)-(3-propan-2-yl-1,2-dihydrotriazol-5-yl)-[5-(pyrrolidine-1-carbonyl)-3-pyridinyl]methyl]amino]quinoline-3-carbonitrile;8-chloro-6-N-[(S)-2,3-dihydro-1H-benzotriazol-4-yl-[3-[1-(trifluoromethyl)cyclopropyl]-1,2-dihydrotriazol-5-yl]methyl]-4-N-(2,2-dimethylpropyl)-3-ethynylquinoline-4,6-diamine;8-chloro-4-N-(2,2-dimethylpropyl)-3-ethynyl-6-N-[(S)-(1-methylindazol-7-yl)-[3-[1-(trifluoromethyl)cyclopropyl]-1,2-dihydrotriazol-5-yl]methyl]quinoline-4,6-diamine;3-ethynyl-6-[[(S)-(6-fluoro-3-pyridinyl)-(3-methyl-1,2-dihydrotriazol-5-yl)methyl]amino]-4-[[(1R)-1-phenylpropyl]amino]quinoline-8-carbonitrile has a molecular weight of 2368.37 g/mol, XLogP of 24.59, 30 rotatable bonds, 19 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 8-chloro-4-(3-chloro-4-methylanilino)-6-[[(S)-(3-propan-2-yl-1,2-dihydrotriazol-5-yl)-[5-(pyrrolidine-1-carbonyl)-3-pyridinyl]methyl]amino]quinoline-3-carbonitrile;8-chloro-6-N-[(S)-2,3-dihydro-1H-benzotriazol-4-yl-[3-[1-(trifluoromethyl)cyclopropyl]-1,2-dihydrotriazol-5-yl]methyl]-4-N-(2,2-dimethylpropyl)-3-ethynylquinoline-4,6-diamine;8-chloro-4-N-(2,2-dimethylpropyl)-3-ethynyl-6-N-[(S)-(1-methylindazol-7-yl)-[3-[1-(trifluoromethyl)cyclopropyl]-1,2-dihydrotriazol-5-yl]methyl]quinoline-4,6-diamine;3-ethynyl-6-[[(S)-(6-fluoro-3-pyridinyl)-(3-methyl-1,2-dihydrotriazol-5-yl)methyl]amino]-4-[[(1R)-1-phenylpropyl]amino]quinoline-8-carbonitrile is sourced from PubChem (CID 158422941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).