8-bromo-2-(6-fluoro-7-methyl-1H-indol-3-yl)quinoline;3-(8-chloroquinolin-2-yl)-1H-indole-7-carbonitrile;3-(7-fluoroquinolin-2-yl)-1H-indole-7-carbonitrile;5-[2-(7-methyl-1H-indol-3-yl)quinolin-5-yl]-1,3-thiazole

C75H47BrClF2N11S — CID 144941245

About 8-bromo-2-(6-fluoro-7-methyl-1H-indol-3-yl)quinoline;3-(8-chloroquinolin-2-yl)-1H-indole-7-carbonitrile;3-(7-fluoroquinolin-2-yl)-1H-indole-7-carbonitrile;5-[2-(7-methyl-1H-indol-3-yl)quinolin-5-yl]-1,3-thiazole

8-bromo-2-(6-fluoro-7-methyl-1H-indol-3-yl)quinoline;3-(8-chloroquinolin-2-yl)-1H-indole-7-carbonitrile;3-(7-fluoroquinolin-2-yl)-1H-indole-7-carbonitrile;5-[2-(7-methyl-1H-indol-3-yl)quinolin-5-yl]-1,3-thiazole (PubChem CID 144941245) has the molecular formula C75H47BrClF2N11S and a molecular weight of 1287.70 g/mol. Its IUPAC name is 8-bromo-2-(6-fluoro-7-methyl-1H-indol-3-yl)quinoline;3-(8-chloroquinolin-2-yl)-1H-indole-7-carbonitrile;3-(7-fluoroquinolin-2-yl)-1H-indole-7-carbonitrile;5-[2-(7-methyl-1H-indol-3-yl)quinolin-5-yl]-1,3-thiazole.

Molecular Properties

• Compound Name: 8-bromo-2-(6-fluoro-7-methyl-1H-indol-3-yl)quinoline;3-(8-chloroquinolin-2-yl)-1H-indole-7-carbonitrile;3-(7-fluoroquinolin-2-yl)-1H-indole-7-carbonitrile;5-[2-(7-methyl-1H-indol-3-yl)quinolin-5-yl]-1,3-thiazole
• PubChem CID: 144941245
• Molecular Formula: C75H47BrClF2N11S
• Molecular Weight: 1287.70 g/mol
• Exact Mass: 1285.26
• IUPAC Name: 8-bromo-2-(6-fluoro-7-methyl-1H-indol-3-yl)quinoline;3-(8-chloroquinolin-2-yl)-1H-indole-7-carbonitrile;3-(7-fluoroquinolin-2-yl)-1H-indole-7-carbonitrile;5-[2-(7-methyl-1H-indol-3-yl)quinolin-5-yl]-1,3-thiazole
• SMILES: Cc1c(F)ccc2c(-c3ccc4cccc(Br)c4n3)c[nH]c12.Cc1cccc2c(-c3ccc4c(-c5cncs5)cccc4n3)c[nH]c12.N#Cc1cccc2c(-c3ccc4ccc(F)cc4n3)c[nH]c12.N#Cc1cccc2c(-c3ccc4cccc(Cl)c4n3)c[nH]c12
• InChI: InChI=1S/C21H15N3S.C18H12BrFN2.C18H10ClN3.C18H10FN3/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;1-10-15(20)7-6-12-13(9-21-17(10)12)16-8-5-11-3-2-4-14(19)18(11)22-16;19-15-6-2-3-11-7-8-16(22-18(11)15)14-10-21-17-12(9-20)4-1-5-13(14)17;19-13-6-4-11-5-7-16(22-17(11)8-13)15-10-21-18-12(9-20)2-1-3-14(15)18/h2-12,23H,1H3;2-9,21H,1H3;2*1-8,10,21H
• InChIKey: BUQXMIJJAAGUQB-UHFFFAOYSA-N
• XLogP: 20.71
• TPSA: 175.19 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 91
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1287.70
LogP ≤ 5	20.71
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 8-bromo-2-(6-fluoro-7-methyl-1H-indol-3-yl)quinoline;3-(8-chloroquinolin-2-yl)-1H-indole-7-carbonitrile;3-(7-fluoroquinolin-2-yl)-1H-indole-7-carbonitrile;5-[2-(7-methyl-1H-indol-3-yl)quinolin-5-yl]-1,3-thiazole?

The IUPAC name of 8-bromo-2-(6-fluoro-7-methyl-1H-indol-3-yl)quinoline;3-(8-chloroquinolin-2-yl)-1H-indole-7-carbonitrile;3-(7-fluoroquinolin-2-yl)-1H-indole-7-carbonitrile;5-[2-(7-methyl-1H-indol-3-yl)quinolin-5-yl]-1,3-thiazole (CID 144941245) is 8-bromo-2-(6-fluoro-7-methyl-1H-indol-3-yl)quinoline;3-(8-chloroquinolin-2-yl)-1H-indole-7-carbonitrile;3-(7-fluoroquinolin-2-yl)-1H-indole-7-carbonitrile;5-[2-(7-methyl-1H-indol-3-yl)quinolin-5-yl]-1,3-thiazole.

What is the SMILES notation for 8-bromo-2-(6-fluoro-7-methyl-1H-indol-3-yl)quinoline;3-(8-chloroquinolin-2-yl)-1H-indole-7-carbonitrile;3-(7-fluoroquinolin-2-yl)-1H-indole-7-carbonitrile;5-[2-(7-methyl-1H-indol-3-yl)quinolin-5-yl]-1,3-thiazole?

The canonical SMILES for 8-bromo-2-(6-fluoro-7-methyl-1H-indol-3-yl)quinoline;3-(8-chloroquinolin-2-yl)-1H-indole-7-carbonitrile;3-(7-fluoroquinolin-2-yl)-1H-indole-7-carbonitrile;5-[2-(7-methyl-1H-indol-3-yl)quinolin-5-yl]-1,3-thiazole is Cc1c(F)ccc2c(-c3ccc4cccc(Br)c4n3)c[nH]c12.Cc1cccc2c(-c3ccc4c(-c5cncs5)cccc4n3)c[nH]c12.N#Cc1cccc2c(-c3ccc4ccc(F)cc4n3)c[nH]c12.N#Cc1cccc2c(-c3ccc4cccc(Cl)c4n3)c[nH]c12.

What is the InChIKey of 8-bromo-2-(6-fluoro-7-methyl-1H-indol-3-yl)quinoline;3-(8-chloroquinolin-2-yl)-1H-indole-7-carbonitrile;3-(7-fluoroquinolin-2-yl)-1H-indole-7-carbonitrile;5-[2-(7-methyl-1H-indol-3-yl)quinolin-5-yl]-1,3-thiazole?

The InChIKey is BUQXMIJJAAGUQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N3S.C18H12BrFN2.C18H10ClN3.C18H10FN3/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;1-10-15(20)7-6-12-13(9-21-17(10)12)16-8-5-11-3-2-4-14(19)18(11)22-16;19-15-6-2-3-11-7-8-16(22-18(11)15)14-10-21-17-12(9-20)4-1-5-13(14)17;19-13-6-4-11-5-7-16(22-17(11)8-13)15-10-21-18-12(9-20)2-1-3-14(15)18/h2-12,23H,1H3;2-9,21H,1H3;2*1-8,10,21H.

What are the key properties of 8-bromo-2-(6-fluoro-7-methyl-1H-indol-3-yl)quinoline;3-(8-chloroquinolin-2-yl)-1H-indole-7-carbonitrile;3-(7-fluoroquinolin-2-yl)-1H-indole-7-carbonitrile;5-[2-(7-methyl-1H-indol-3-yl)quinolin-5-yl]-1,3-thiazole?

8-bromo-2-(6-fluoro-7-methyl-1H-indol-3-yl)quinoline;3-(8-chloroquinolin-2-yl)-1H-indole-7-carbonitrile;3-(7-fluoroquinolin-2-yl)-1H-indole-7-carbonitrile;5-[2-(7-methyl-1H-indol-3-yl)quinolin-5-yl]-1,3-thiazole has a molecular weight of 1287.70 g/mol, XLogP of 20.71, 5 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 8-bromo-2-(6-fluoro-7-methyl-1H-indol-3-yl)quinoline;3-(8-chloroquinolin-2-yl)-1H-indole-7-carbonitrile;3-(7-fluoroquinolin-2-yl)-1H-indole-7-carbonitrile;5-[2-(7-methyl-1H-indol-3-yl)quinolin-5-yl]-1,3-thiazole is sourced from PubChem (CID 144941245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).