8-bromo-2-(6,7-dimethyl-1H-indol-3-yl)quinoline;2-(7-bromo-1H-indol-3-yl)quinoline;8-chloro-2-(7-ethynyl-1H-indol-3-yl)quinoline;2-(7-ethynyl-1H-indol-3-yl)-7-fluoroquinoline;2-(1H-indol-3-yl)-4-methylquinoline;5-[2-(7-methyl-1H-indol-3-yl)quinolin-5-yl]-1,3-thiazole;hydrochloride

C113H78Br2Cl2FN13S — CID 159609874

About 8-bromo-2-(6,7-dimethyl-1H-indol-3-yl)quinoline;2-(7-bromo-1H-indol-3-yl)quinoline;8-chloro-2-(7-ethynyl-1H-indol-3-yl)quinoline;2-(7-ethynyl-1H-indol-3-yl)-7-fluoroquinoline;2-(1H-indol-3-yl)-4-methylquinoline;5-[2-(7-methyl-1H-indol-3-yl)quinolin-5-yl]-1,3-thiazole;hydrochloride

8-bromo-2-(6,7-dimethyl-1H-indol-3-yl)quinoline;2-(7-bromo-1H-indol-3-yl)quinoline;8-chloro-2-(7-ethynyl-1H-indol-3-yl)quinoline;2-(7-ethynyl-1H-indol-3-yl)-7-fluoroquinoline;2-(1H-indol-3-yl)-4-methylquinoline;5-[2-(7-methyl-1H-indol-3-yl)quinolin-5-yl]-1,3-thiazole;hydrochloride (PubChem CID 159609874) has the molecular formula C113H78Br2Cl2FN13S and a molecular weight of 1899.74 g/mol. Its IUPAC name is 8-bromo-2-(6,7-dimethyl-1H-indol-3-yl)quinoline;2-(7-bromo-1H-indol-3-yl)quinoline;8-chloro-2-(7-ethynyl-1H-indol-3-yl)quinoline;2-(7-ethynyl-1H-indol-3-yl)-7-fluoroquinoline;2-(1H-indol-3-yl)-4-methylquinoline;5-[2-(7-methyl-1H-indol-3-yl)quinolin-5-yl]-1,3-thiazole;hydrochloride.

Molecular Properties

• Compound Name: 8-bromo-2-(6,7-dimethyl-1H-indol-3-yl)quinoline;2-(7-bromo-1H-indol-3-yl)quinoline;8-chloro-2-(7-ethynyl-1H-indol-3-yl)quinoline;2-(7-ethynyl-1H-indol-3-yl)-7-fluoroquinoline;2-(1H-indol-3-yl)-4-methylquinoline;5-[2-(7-methyl-1H-indol-3-yl)quinolin-5-yl]-1,3-thiazole;hydrochloride
• PubChem CID: 159609874
• Molecular Formula: C113H78Br2Cl2FN13S
• Molecular Weight: 1899.74 g/mol
• Exact Mass: 1895.40
• IUPAC Name: 8-bromo-2-(6,7-dimethyl-1H-indol-3-yl)quinoline;2-(7-bromo-1H-indol-3-yl)quinoline;8-chloro-2-(7-ethynyl-1H-indol-3-yl)quinoline;2-(7-ethynyl-1H-indol-3-yl)-7-fluoroquinoline;2-(1H-indol-3-yl)-4-methylquinoline;5-[2-(7-methyl-1H-indol-3-yl)quinolin-5-yl]-1,3-thiazole;hydrochloride
• SMILES: Brc1cccc2c(-c3ccc4ccccc4n3)c[nH]c12.C#Cc1cccc2c(-c3ccc4ccc(F)cc4n3)c[nH]c12.C#Cc1cccc2c(-c3ccc4cccc(Cl)c4n3)c[nH]c12.Cc1cc(-c2c[nH]c3ccccc23)nc2ccccc12.Cc1ccc2c(-c3ccc4cccc(Br)c4n3)c[nH]c2c1C.Cc1cccc2c(-c3ccc4c(-c5cncs5)cccc4n3)c[nH]c12.Cl
• InChI: InChI=1S/C21H15N3S.C19H15BrN2.C19H11ClN2.C19H11FN2.C18H14N2.C17H11BrN2.ClH/c1-13-4-2-6-16-17(10-23-21(13)16)19-9-8-14-15(20-11-22-12-25-20)5-3-7-18(14)24-19;1-11-6-8-14-15(10-21-18(14)12(11)2)17-9-7-13-4-3-5-16(20)19(13)22-17;1-2-12-5-3-7-14-15(11-21-18(12)14)17-10-9-13-6-4-8-16(20)19(13)22-17;1-2-12-4-3-5-15-16(11-21-19(12)15)17-9-7-13-6-8-14(20)10-18(13)22-17;1-12-10-18(20-17-9-5-2-6-13(12)17)15-11-19-16-8-4-3-7-14(15)16;18-14-6-3-5-12-13(10-19-17(12)14)16-9-8-11-4-1-2-7-15(11)20-16;/h2-12,23H,1H3;3-10,21H,1-2H3;2*1,3-11,21H;2-11,19H,1H3;1-10,19H;1H
• InChIKey: YRYTZEPECVSFIS-UHFFFAOYSA-N
• XLogP: 31.36
• TPSA: 184.97 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 132
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1899.74
LogP ≤ 5	31.36
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 8-bromo-2-(6,7-dimethyl-1H-indol-3-yl)quinoline;2-(7-bromo-1H-indol-3-yl)quinoline;8-chloro-2-(7-ethynyl-1H-indol-3-yl)quinoline;2-(7-ethynyl-1H-indol-3-yl)-7-fluoroquinoline;2-(1H-indol-3-yl)-4-methylquinoline;5-[2-(7-methyl-1H-indol-3-yl)quinolin-5-yl]-1,3-thiazole;hydrochloride?

The IUPAC name of 8-bromo-2-(6,7-dimethyl-1H-indol-3-yl)quinoline;2-(7-bromo-1H-indol-3-yl)quinoline;8-chloro-2-(7-ethynyl-1H-indol-3-yl)quinoline;2-(7-ethynyl-1H-indol-3-yl)-7-fluoroquinoline;2-(1H-indol-3-yl)-4-methylquinoline;5-[2-(7-methyl-1H-indol-3-yl)quinolin-5-yl]-1,3-thiazole;hydrochloride (CID 159609874) is 8-bromo-2-(6,7-dimethyl-1H-indol-3-yl)quinoline;2-(7-bromo-1H-indol-3-yl)quinoline;8-chloro-2-(7-ethynyl-1H-indol-3-yl)quinoline;2-(7-ethynyl-1H-indol-3-yl)-7-fluoroquinoline;2-(1H-indol-3-yl)-4-methylquinoline;5-[2-(7-methyl-1H-indol-3-yl)quinolin-5-yl]-1,3-thiazole;hydrochloride.

What is the SMILES notation for 8-bromo-2-(6,7-dimethyl-1H-indol-3-yl)quinoline;2-(7-bromo-1H-indol-3-yl)quinoline;8-chloro-2-(7-ethynyl-1H-indol-3-yl)quinoline;2-(7-ethynyl-1H-indol-3-yl)-7-fluoroquinoline;2-(1H-indol-3-yl)-4-methylquinoline;5-[2-(7-methyl-1H-indol-3-yl)quinolin-5-yl]-1,3-thiazole;hydrochloride?

The canonical SMILES for 8-bromo-2-(6,7-dimethyl-1H-indol-3-yl)quinoline;2-(7-bromo-1H-indol-3-yl)quinoline;8-chloro-2-(7-ethynyl-1H-indol-3-yl)quinoline;2-(7-ethynyl-1H-indol-3-yl)-7-fluoroquinoline;2-(1H-indol-3-yl)-4-methylquinoline;5-[2-(7-methyl-1H-indol-3-yl)quinolin-5-yl]-1,3-thiazole;hydrochloride is Brc1cccc2c(-c3ccc4ccccc4n3)c[nH]c12.C#Cc1cccc2c(-c3ccc4ccc(F)cc4n3)c[nH]c12.C#Cc1cccc2c(-c3ccc4cccc(Cl)c4n3)c[nH]c12.Cc1cc(-c2c[nH]c3ccccc23)nc2ccccc12.Cc1ccc2c(-c3ccc4cccc(Br)c4n3)c[nH]c2c1C.Cc1cccc2c(-c3ccc4c(-c5cncs5)cccc4n3)c[nH]c12.Cl.

What is the InChIKey of 8-bromo-2-(6,7-dimethyl-1H-indol-3-yl)quinoline;2-(7-bromo-1H-indol-3-yl)quinoline;8-chloro-2-(7-ethynyl-1H-indol-3-yl)quinoline;2-(7-ethynyl-1H-indol-3-yl)-7-fluoroquinoline;2-(1H-indol-3-yl)-4-methylquinoline;5-[2-(7-methyl-1H-indol-3-yl)quinolin-5-yl]-1,3-thiazole;hydrochloride?

The InChIKey is YRYTZEPECVSFIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N3S.C19H15BrN2.C19H11ClN2.C19H11FN2.C18H14N2.C17H11BrN2.ClH/c1-13-4-2-6-16-17(10-23-21(13)16)19-9-8-14-15(20-11-22-12-25-20)5-3-7-18(14)24-19;1-11-6-8-14-15(10-21-18(14)12(11)2)17-9-7-13-4-3-5-16(20)19(13)22-17;1-2-12-5-3-7-14-15(11-21-18(12)14)17-10-9-13-6-4-8-16(20)19(13)22-17;1-2-12-4-3-5-15-16(11-21-19(12)15)17-9-7-13-6-8-14(20)10-18(13)22-17;1-12-10-18(20-17-9-5-2-6-13(12)17)15-11-19-16-8-4-3-7-14(15)16;18-14-6-3-5-12-13(10-19-17(12)14)16-9-8-11-4-1-2-7-15(11)20-16;/h2-12,23H,1H3;3-10,21H,1-2H3;2*1,3-11,21H;2-11,19H,1H3;1-10,19H;1H.

What are the key properties of 8-bromo-2-(6,7-dimethyl-1H-indol-3-yl)quinoline;2-(7-bromo-1H-indol-3-yl)quinoline;8-chloro-2-(7-ethynyl-1H-indol-3-yl)quinoline;2-(7-ethynyl-1H-indol-3-yl)-7-fluoroquinoline;2-(1H-indol-3-yl)-4-methylquinoline;5-[2-(7-methyl-1H-indol-3-yl)quinolin-5-yl]-1,3-thiazole;hydrochloride?

8-bromo-2-(6,7-dimethyl-1H-indol-3-yl)quinoline;2-(7-bromo-1H-indol-3-yl)quinoline;8-chloro-2-(7-ethynyl-1H-indol-3-yl)quinoline;2-(7-ethynyl-1H-indol-3-yl)-7-fluoroquinoline;2-(1H-indol-3-yl)-4-methylquinoline;5-[2-(7-methyl-1H-indol-3-yl)quinolin-5-yl]-1,3-thiazole;hydrochloride has a molecular weight of 1899.74 g/mol, XLogP of 31.36, 7 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 8-bromo-2-(6,7-dimethyl-1H-indol-3-yl)quinoline;2-(7-bromo-1H-indol-3-yl)quinoline;8-chloro-2-(7-ethynyl-1H-indol-3-yl)quinoline;2-(7-ethynyl-1H-indol-3-yl)-7-fluoroquinoline;2-(1H-indol-3-yl)-4-methylquinoline;5-[2-(7-methyl-1H-indol-3-yl)quinolin-5-yl]-1,3-thiazole;hydrochloride is sourced from PubChem (CID 159609874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).