8-chloro-7-[(1R)-1-(5-methyl-1H-imidazol-4-yl)ethyl]-3-(trifluoromethyl)quinoline;N,N-dimethyl-6-[(1S)-1-(5-methyl-1H-imidazol-4-yl)ethyl]-8-propan-2-ylquinolin-3-amine;5-[(5-methyl-1H-imidazol-4-yl)methyl]-1H-quinoline-4-thione;N-methyl-1-[4-[1-(5-methyl-1H-imidazol-4-yl)ethyl]quinolin-6-yl]methanamine;1-methyl-5-[(5-methyl-1H-imidazol-4-yl)methyl]isoquinoline;N-methyl-1-[3-[2,2,2-trifluoro-1-(5-methyl-1H-imidazol-4-yl)ethyl]quinolin-5-yl]methanamine

C99H104ClF6N21S — CID 158212982

About 8-chloro-7-[(1R)-1-(5-methyl-1H-imidazol-4-yl)ethyl]-3-(trifluoromethyl)quinoline;N,N-dimethyl-6-[(1S)-1-(5-methyl-1H-imidazol-4-yl)ethyl]-8-propan-2-ylquinolin-3-amine;5-[(5-methyl-1H-imidazol-4-yl)methyl]-1H-quinoline-4-thione;N-methyl-1-[4-[1-(5-methyl-1H-imidazol-4-yl)ethyl]quinolin-6-yl]methanamine;1-methyl-5-[(5-methyl-1H-imidazol-4-yl)methyl]isoquinoline;N-methyl-1-[3-[2,2,2-trifluoro-1-(5-methyl-1H-imidazol-4-yl)ethyl]quinolin-5-yl]methanamine

8-chloro-7-[(1R)-1-(5-methyl-1H-imidazol-4-yl)ethyl]-3-(trifluoromethyl)quinoline;N,N-dimethyl-6-[(1S)-1-(5-methyl-1H-imidazol-4-yl)ethyl]-8-propan-2-ylquinolin-3-amine;5-[(5-methyl-1H-imidazol-4-yl)methyl]-1H-quinoline-4-thione;N-methyl-1-[4-[1-(5-methyl-1H-imidazol-4-yl)ethyl]quinolin-6-yl]methanamine;1-methyl-5-[(5-methyl-1H-imidazol-4-yl)methyl]isoquinoline;N-methyl-1-[3-[2,2,2-trifluoro-1-(5-methyl-1H-imidazol-4-yl)ethyl]quinolin-5-yl]methanamine (PubChem CID 158212982) has the molecular formula C99H104ClF6N21S and a molecular weight of 1769.58 g/mol. Its IUPAC name is 8-chloro-7-[(1R)-1-(5-methyl-1H-imidazol-4-yl)ethyl]-3-(trifluoromethyl)quinoline;N,N-dimethyl-6-[(1S)-1-(5-methyl-1H-imidazol-4-yl)ethyl]-8-propan-2-ylquinolin-3-amine;5-[(5-methyl-1H-imidazol-4-yl)methyl]-1H-quinoline-4-thione;N-methyl-1-[4-[1-(5-methyl-1H-imidazol-4-yl)ethyl]quinolin-6-yl]methanamine;1-methyl-5-[(5-methyl-1H-imidazol-4-yl)methyl]isoquinoline;N-methyl-1-[3-[2,2,2-trifluoro-1-(5-methyl-1H-imidazol-4-yl)ethyl]quinolin-5-yl]methanamine.

Molecular Properties

• Compound Name: 8-chloro-7-[(1R)-1-(5-methyl-1H-imidazol-4-yl)ethyl]-3-(trifluoromethyl)quinoline;N,N-dimethyl-6-[(1S)-1-(5-methyl-1H-imidazol-4-yl)ethyl]-8-propan-2-ylquinolin-3-amine;5-[(5-methyl-1H-imidazol-4-yl)methyl]-1H-quinoline-4-thione;N-methyl-1-[4-[1-(5-methyl-1H-imidazol-4-yl)ethyl]quinolin-6-yl]methanamine;1-methyl-5-[(5-methyl-1H-imidazol-4-yl)methyl]isoquinoline;N-methyl-1-[3-[2,2,2-trifluoro-1-(5-methyl-1H-imidazol-4-yl)ethyl]quinolin-5-yl]methanamine
• PubChem CID: 158212982
• Molecular Formula: C99H104ClF6N21S
• Molecular Weight: 1769.58 g/mol
• Exact Mass: 1767.81
• IUPAC Name: 8-chloro-7-[(1R)-1-(5-methyl-1H-imidazol-4-yl)ethyl]-3-(trifluoromethyl)quinoline;N,N-dimethyl-6-[(1S)-1-(5-methyl-1H-imidazol-4-yl)ethyl]-8-propan-2-ylquinolin-3-amine;5-[(5-methyl-1H-imidazol-4-yl)methyl]-1H-quinoline-4-thione;N-methyl-1-[4-[1-(5-methyl-1H-imidazol-4-yl)ethyl]quinolin-6-yl]methanamine;1-methyl-5-[(5-methyl-1H-imidazol-4-yl)methyl]isoquinoline;N-methyl-1-[3-[2,2,2-trifluoro-1-(5-methyl-1H-imidazol-4-yl)ethyl]quinolin-5-yl]methanamine
• SMILES: CNCc1ccc2nccc(C(C)c3nc[nH]c3C)c2c1.CNCc1cccc2ncc(C(c3nc[nH]c3C)C(F)(F)F)cc12.Cc1[nH]cnc1Cc1cccc2[nH]ccc(=S)c12.Cc1[nH]cnc1Cc1cccc2c(C)nccc12.Cc1[nH]cnc1[C@@H](C)c1cc(C(C)C)c2ncc(N(C)C)cc2c1.Cc1[nH]cnc1[C@H](C)c1ccc2cc(C(F)(F)F)cnc2c1Cl
• InChI: InChI=1S/C20H26N4.C17H17F3N4.C17H20N4.C16H13ClF3N3.C15H15N3.C14H13N3S/c1-12(2)18-9-15(13(3)19-14(4)22-11-23-19)7-16-8-17(24(5)6)10-21-20(16)18;1-10-16(24-9-23-10)15(17(18,19)20)12-6-13-11(7-21-2)4-3-5-14(13)22-8-12;1-11(17-12(2)20-10-21-17)14-6-7-19-16-5-4-13(9-18-3)8-15(14)16;1-8(14-9(2)22-7-23-14)12-4-3-10-5-11(16(18,19)20)6-21-15(10)13(12)17;1-10-13-5-3-4-12(14(13)6-7-16-10)8-15-11(2)17-9-18-15;1-9-12(17-8-16-9)7-10-3-2-4-11-14(10)13(18)5-6-15-11/h7-13H,1-6H3,(H,22,23);3-6,8-9,15,21H,7H2,1-2H3,(H,23,24);4-8,10-11,18H,9H2,1-3H3,(H,20,21);3-8H,1-2H3,(H,22,23);3-7,9H,8H2,1-2H3,(H,17,18);2-6,8H,7H2,1H3,(H,15,18)(H,16,17)/t13-;;;8-;;/m0..1../s1
• InChIKey: GCHLKTXRXDSNMM-XJIQTOPSSA-N
• XLogP: 23.20
• TPSA: 279.62 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 15
• Rotatable Bonds: 18
• Heavy Atoms: 128
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1769.58
LogP ≤ 5	23.20
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 8-chloro-7-[(1R)-1-(5-methyl-1H-imidazol-4-yl)ethyl]-3-(trifluoromethyl)quinoline;N,N-dimethyl-6-[(1S)-1-(5-methyl-1H-imidazol-4-yl)ethyl]-8-propan-2-ylquinolin-3-amine;5-[(5-methyl-1H-imidazol-4-yl)methyl]-1H-quinoline-4-thione;N-methyl-1-[4-[1-(5-methyl-1H-imidazol-4-yl)ethyl]quinolin-6-yl]methanamine;1-methyl-5-[(5-methyl-1H-imidazol-4-yl)methyl]isoquinoline;N-methyl-1-[3-[2,2,2-trifluoro-1-(5-methyl-1H-imidazol-4-yl)ethyl]quinolin-5-yl]methanamine?

The IUPAC name of 8-chloro-7-[(1R)-1-(5-methyl-1H-imidazol-4-yl)ethyl]-3-(trifluoromethyl)quinoline;N,N-dimethyl-6-[(1S)-1-(5-methyl-1H-imidazol-4-yl)ethyl]-8-propan-2-ylquinolin-3-amine;5-[(5-methyl-1H-imidazol-4-yl)methyl]-1H-quinoline-4-thione;N-methyl-1-[4-[1-(5-methyl-1H-imidazol-4-yl)ethyl]quinolin-6-yl]methanamine;1-methyl-5-[(5-methyl-1H-imidazol-4-yl)methyl]isoquinoline;N-methyl-1-[3-[2,2,2-trifluoro-1-(5-methyl-1H-imidazol-4-yl)ethyl]quinolin-5-yl]methanamine (CID 158212982) is 8-chloro-7-[(1R)-1-(5-methyl-1H-imidazol-4-yl)ethyl]-3-(trifluoromethyl)quinoline;N,N-dimethyl-6-[(1S)-1-(5-methyl-1H-imidazol-4-yl)ethyl]-8-propan-2-ylquinolin-3-amine;5-[(5-methyl-1H-imidazol-4-yl)methyl]-1H-quinoline-4-thione;N-methyl-1-[4-[1-(5-methyl-1H-imidazol-4-yl)ethyl]quinolin-6-yl]methanamine;1-methyl-5-[(5-methyl-1H-imidazol-4-yl)methyl]isoquinoline;N-methyl-1-[3-[2,2,2-trifluoro-1-(5-methyl-1H-imidazol-4-yl)ethyl]quinolin-5-yl]methanamine.

What is the SMILES notation for 8-chloro-7-[(1R)-1-(5-methyl-1H-imidazol-4-yl)ethyl]-3-(trifluoromethyl)quinoline;N,N-dimethyl-6-[(1S)-1-(5-methyl-1H-imidazol-4-yl)ethyl]-8-propan-2-ylquinolin-3-amine;5-[(5-methyl-1H-imidazol-4-yl)methyl]-1H-quinoline-4-thione;N-methyl-1-[4-[1-(5-methyl-1H-imidazol-4-yl)ethyl]quinolin-6-yl]methanamine;1-methyl-5-[(5-methyl-1H-imidazol-4-yl)methyl]isoquinoline;N-methyl-1-[3-[2,2,2-trifluoro-1-(5-methyl-1H-imidazol-4-yl)ethyl]quinolin-5-yl]methanamine?

The canonical SMILES for 8-chloro-7-[(1R)-1-(5-methyl-1H-imidazol-4-yl)ethyl]-3-(trifluoromethyl)quinoline;N,N-dimethyl-6-[(1S)-1-(5-methyl-1H-imidazol-4-yl)ethyl]-8-propan-2-ylquinolin-3-amine;5-[(5-methyl-1H-imidazol-4-yl)methyl]-1H-quinoline-4-thione;N-methyl-1-[4-[1-(5-methyl-1H-imidazol-4-yl)ethyl]quinolin-6-yl]methanamine;1-methyl-5-[(5-methyl-1H-imidazol-4-yl)methyl]isoquinoline;N-methyl-1-[3-[2,2,2-trifluoro-1-(5-methyl-1H-imidazol-4-yl)ethyl]quinolin-5-yl]methanamine is CNCc1ccc2nccc(C(C)c3nc[nH]c3C)c2c1.CNCc1cccc2ncc(C(c3nc[nH]c3C)C(F)(F)F)cc12.Cc1[nH]cnc1Cc1cccc2[nH]ccc(=S)c12.Cc1[nH]cnc1Cc1cccc2c(C)nccc12.Cc1[nH]cnc1[C@@H](C)c1cc(C(C)C)c2ncc(N(C)C)cc2c1.Cc1[nH]cnc1[C@H](C)c1ccc2cc(C(F)(F)F)cnc2c1Cl.

What is the InChIKey of 8-chloro-7-[(1R)-1-(5-methyl-1H-imidazol-4-yl)ethyl]-3-(trifluoromethyl)quinoline;N,N-dimethyl-6-[(1S)-1-(5-methyl-1H-imidazol-4-yl)ethyl]-8-propan-2-ylquinolin-3-amine;5-[(5-methyl-1H-imidazol-4-yl)methyl]-1H-quinoline-4-thione;N-methyl-1-[4-[1-(5-methyl-1H-imidazol-4-yl)ethyl]quinolin-6-yl]methanamine;1-methyl-5-[(5-methyl-1H-imidazol-4-yl)methyl]isoquinoline;N-methyl-1-[3-[2,2,2-trifluoro-1-(5-methyl-1H-imidazol-4-yl)ethyl]quinolin-5-yl]methanamine?

The InChIKey is GCHLKTXRXDSNMM-XJIQTOPSSA-N. The full InChI is InChI=1S/C20H26N4.C17H17F3N4.C17H20N4.C16H13ClF3N3.C15H15N3.C14H13N3S/c1-12(2)18-9-15(13(3)19-14(4)22-11-23-19)7-16-8-17(24(5)6)10-21-20(16)18;1-10-16(24-9-23-10)15(17(18,19)20)12-6-13-11(7-21-2)4-3-5-14(13)22-8-12;1-11(17-12(2)20-10-21-17)14-6-7-19-16-5-4-13(9-18-3)8-15(14)16;1-8(14-9(2)22-7-23-14)12-4-3-10-5-11(16(18,19)20)6-21-15(10)13(12)17;1-10-13-5-3-4-12(14(13)6-7-16-10)8-15-11(2)17-9-18-15;1-9-12(17-8-16-9)7-10-3-2-4-11-14(10)13(18)5-6-15-11/h7-13H,1-6H3,(H,22,23);3-6,8-9,15,21H,7H2,1-2H3,(H,23,24);4-8,10-11,18H,9H2,1-3H3,(H,20,21);3-8H,1-2H3,(H,22,23);3-7,9H,8H2,1-2H3,(H,17,18);2-6,8H,7H2,1H3,(H,15,18)(H,16,17)/t13-;;;8-;;/m0..1../s1.

What are the key properties of 8-chloro-7-[(1R)-1-(5-methyl-1H-imidazol-4-yl)ethyl]-3-(trifluoromethyl)quinoline;N,N-dimethyl-6-[(1S)-1-(5-methyl-1H-imidazol-4-yl)ethyl]-8-propan-2-ylquinolin-3-amine;5-[(5-methyl-1H-imidazol-4-yl)methyl]-1H-quinoline-4-thione;N-methyl-1-[4-[1-(5-methyl-1H-imidazol-4-yl)ethyl]quinolin-6-yl]methanamine;1-methyl-5-[(5-methyl-1H-imidazol-4-yl)methyl]isoquinoline;N-methyl-1-[3-[2,2,2-trifluoro-1-(5-methyl-1H-imidazol-4-yl)ethyl]quinolin-5-yl]methanamine?

8-chloro-7-[(1R)-1-(5-methyl-1H-imidazol-4-yl)ethyl]-3-(trifluoromethyl)quinoline;N,N-dimethyl-6-[(1S)-1-(5-methyl-1H-imidazol-4-yl)ethyl]-8-propan-2-ylquinolin-3-amine;5-[(5-methyl-1H-imidazol-4-yl)methyl]-1H-quinoline-4-thione;N-methyl-1-[4-[1-(5-methyl-1H-imidazol-4-yl)ethyl]quinolin-6-yl]methanamine;1-methyl-5-[(5-methyl-1H-imidazol-4-yl)methyl]isoquinoline;N-methyl-1-[3-[2,2,2-trifluoro-1-(5-methyl-1H-imidazol-4-yl)ethyl]quinolin-5-yl]methanamine has a molecular weight of 1769.58 g/mol, XLogP of 23.20, 18 rotatable bonds, 9 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 8-chloro-7-[(1R)-1-(5-methyl-1H-imidazol-4-yl)ethyl]-3-(trifluoromethyl)quinoline;N,N-dimethyl-6-[(1S)-1-(5-methyl-1H-imidazol-4-yl)ethyl]-8-propan-2-ylquinolin-3-amine;5-[(5-methyl-1H-imidazol-4-yl)methyl]-1H-quinoline-4-thione;N-methyl-1-[4-[1-(5-methyl-1H-imidazol-4-yl)ethyl]quinolin-6-yl]methanamine;1-methyl-5-[(5-methyl-1H-imidazol-4-yl)methyl]isoquinoline;N-methyl-1-[3-[2,2,2-trifluoro-1-(5-methyl-1H-imidazol-4-yl)ethyl]quinolin-5-yl]methanamine is sourced from PubChem (CID 158212982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).