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

C78H62Cl2F2N10S — CID 144941216

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

3-(8-chloro-5,6-dihydroquinolin-2-yl)-1H-indole-7-carbonitrile;2-(7-chloro-6-fluoro-1H-indol-3-yl)quinoline;ethane;2-(7-fluoro-5-methyl-1H-indol-3-yl)quinoline;5-[2-(7-methyl-1H-indol-3-yl)quinolin-5-yl]-1,3-thiazole (PubChem CID 144941216) has the molecular formula C78H62Cl2F2N10S and a molecular weight of 1280.39 g/mol. Its IUPAC name is 3-(8-chloro-5,6-dihydroquinolin-2-yl)-1H-indole-7-carbonitrile;2-(7-chloro-6-fluoro-1H-indol-3-yl)quinoline;ethane;2-(7-fluoro-5-methyl-1H-indol-3-yl)quinoline;5-[2-(7-methyl-1H-indol-3-yl)quinolin-5-yl]-1,3-thiazole.

Molecular Properties

• Compound Name: 3-(8-chloro-5,6-dihydroquinolin-2-yl)-1H-indole-7-carbonitrile;2-(7-chloro-6-fluoro-1H-indol-3-yl)quinoline;ethane;2-(7-fluoro-5-methyl-1H-indol-3-yl)quinoline;5-[2-(7-methyl-1H-indol-3-yl)quinolin-5-yl]-1,3-thiazole
• PubChem CID: 144941216
• Molecular Formula: C78H62Cl2F2N10S
• Molecular Weight: 1280.39 g/mol
• Exact Mass: 1278.42
• IUPAC Name: 3-(8-chloro-5,6-dihydroquinolin-2-yl)-1H-indole-7-carbonitrile;2-(7-chloro-6-fluoro-1H-indol-3-yl)quinoline;ethane;2-(7-fluoro-5-methyl-1H-indol-3-yl)quinoline;5-[2-(7-methyl-1H-indol-3-yl)quinolin-5-yl]-1,3-thiazole
• SMILES: CC.CC.Cc1cc(F)c2[nH]cc(-c3ccc4ccccc4n3)c2c1.Cc1cccc2c(-c3ccc4c(-c5cncs5)cccc4n3)c[nH]c12.Fc1ccc2c(-c3ccc4ccccc4n3)c[nH]c2c1Cl.N#Cc1cccc2c(-c3ccc4c(n3)C(Cl)=CCC4)c[nH]c12
• InChI: InChI=1S/C21H15N3S.C18H12ClN3.C18H13FN2.C17H10ClFN2.2C2H6/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;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;1-11-8-13-14(10-20-18(13)15(19)9-11)17-7-6-12-4-2-3-5-16(12)21-17;18-16-13(19)7-6-11-12(9-20-17(11)16)15-8-5-10-3-1-2-4-14(10)21-15;2*1-2/h2-12,23H,1H3;1,4-8,10,21H,2-3H2;2-10,20H,1H3;1-9,20H;2*1-2H3
• InChIKey: POSSVFDBRUOLLK-UHFFFAOYSA-N
• XLogP: 22.50
• TPSA: 151.40 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 93
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1280.39
LogP ≤ 5	22.50
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 3-(8-chloro-5,6-dihydroquinolin-2-yl)-1H-indole-7-carbonitrile;2-(7-chloro-6-fluoro-1H-indol-3-yl)quinoline;ethane;2-(7-fluoro-5-methyl-1H-indol-3-yl)quinoline;5-[2-(7-methyl-1H-indol-3-yl)quinolin-5-yl]-1,3-thiazole (CID 144941216) is 3-(8-chloro-5,6-dihydroquinolin-2-yl)-1H-indole-7-carbonitrile;2-(7-chloro-6-fluoro-1H-indol-3-yl)quinoline;ethane;2-(7-fluoro-5-methyl-1H-indol-3-yl)quinoline;5-[2-(7-methyl-1H-indol-3-yl)quinolin-5-yl]-1,3-thiazole.

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

The canonical SMILES for 3-(8-chloro-5,6-dihydroquinolin-2-yl)-1H-indole-7-carbonitrile;2-(7-chloro-6-fluoro-1H-indol-3-yl)quinoline;ethane;2-(7-fluoro-5-methyl-1H-indol-3-yl)quinoline;5-[2-(7-methyl-1H-indol-3-yl)quinolin-5-yl]-1,3-thiazole is CC.CC.Cc1cc(F)c2[nH]cc(-c3ccc4ccccc4n3)c2c1.Cc1cccc2c(-c3ccc4c(-c5cncs5)cccc4n3)c[nH]c12.Fc1ccc2c(-c3ccc4ccccc4n3)c[nH]c2c1Cl.N#Cc1cccc2c(-c3ccc4c(n3)C(Cl)=CCC4)c[nH]c12.

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

The InChIKey is POSSVFDBRUOLLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N3S.C18H12ClN3.C18H13FN2.C17H10ClFN2.2C2H6/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;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;1-11-8-13-14(10-20-18(13)15(19)9-11)17-7-6-12-4-2-3-5-16(12)21-17;18-16-13(19)7-6-11-12(9-20-17(11)16)15-8-5-10-3-1-2-4-14(10)21-15;2*1-2/h2-12,23H,1H3;1,4-8,10,21H,2-3H2;2-10,20H,1H3;1-9,20H;2*1-2H3.

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

3-(8-chloro-5,6-dihydroquinolin-2-yl)-1H-indole-7-carbonitrile;2-(7-chloro-6-fluoro-1H-indol-3-yl)quinoline;ethane;2-(7-fluoro-5-methyl-1H-indol-3-yl)quinoline;5-[2-(7-methyl-1H-indol-3-yl)quinolin-5-yl]-1,3-thiazole has a molecular weight of 1280.39 g/mol, XLogP of 22.50, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(8-chloro-5,6-dihydroquinolin-2-yl)-1H-indole-7-carbonitrile;2-(7-chloro-6-fluoro-1H-indol-3-yl)quinoline;ethane;2-(7-fluoro-5-methyl-1H-indol-3-yl)quinoline;5-[2-(7-methyl-1H-indol-3-yl)quinolin-5-yl]-1,3-thiazole is sourced from PubChem (CID 144941216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).