3-[8-chloro-7-[[3-[5-[2-[2-(7-chloro-6-fluoro-1H-indol-3-yl)quinolin-5-yl]-1,3-thiazol-5-yl]quinolin-2-yl]-1H-indol-7-yl]methyl]quinolin-2-yl]-1H-indole-7-carbonitrile

C56H31Cl2FN8S — CID 123225154

IUPAC3-[8-chloro-7-[[3-[5-[2-[2-(7-chloro-6-fluoro-1H-indol-3-yl)quinolin-5-yl]-1,3-thiazol-5-yl]quinolin-2-yl]-1H-indol-7-yl]methyl]quinolin-2-yl]-1H-indole-7-carbonitrile
SMILESN#Cc1cccc2c(-c3ccc4ccc(Cc5cccc6c(-c7ccc8c(-c9cnc(-c%10cccc%11nc(-c%12c[nH]c%13c(Cl)c(F)ccc%12%13)ccc%10%11)s9)cccc8n7)c[nH]c56)c(Cl)c4n3)c[nH]c12
InChIInChI=1S/C56H31Cl2FN8S/c57-50-30(14-13-29-15-20-48(67-54(29)50)41-26-62-53-32(24-60)6-2-9-37(41)53)23-31-5-1-8-36-40(25-61-52(31)36)46-21-17-33-35(7-3-11-44(33)65-46)49-28-64-56(68-49)39-10-4-12-45-34(39)18-22-47(66-45)42-27-63-55-38(42)16-19-43(59)51(55)58/h1-22,25-28,61-63H,23H2
InChIKeyGXKMMNDWZBEJPG-UHFFFAOYSA-N
MW937.89 g/mol
LogP15.47
Rot. Bonds7

About 3-[8-chloro-7-[[3-[5-[2-[2-(7-chloro-6-fluoro-1H-indol-3-yl)quinolin-5-yl]-1,3-thiazol-5-yl]quinolin-2-yl]-1H-indol-7-yl]methyl]quinolin-2-yl]-1H-indole-7-carbonitrile

3-[8-chloro-7-[[3-[5-[2-[2-(7-chloro-6-fluoro-1H-indol-3-yl)quinolin-5-yl]-1,3-thiazol-5-yl]quinolin-2-yl]-1H-indol-7-yl]methyl]quinolin-2-yl]-1H-indole-7-carbonitrile (PubChem CID 123225154) has the molecular formula C56H31Cl2FN8S and a molecular weight of 937.89 g/mol. Its IUPAC name is 3-[8-chloro-7-[[3-[5-[2-[2-(7-chloro-6-fluoro-1H-indol-3-yl)quinolin-5-yl]-1,3-thiazol-5-yl]quinolin-2-yl]-1H-indol-7-yl]methyl]quinolin-2-yl]-1H-indole-7-carbonitrile.

Molecular Properties

Compound Name3-[8-chloro-7-[[3-[5-[2-[2-(7-chloro-6-fluoro-1H-indol-3-yl)quinolin-5-yl]-1,3-thiazol-5-yl]quinolin-2-yl]-1H-indol-7-yl]methyl]quinolin-2-yl]-1H-indole-7-carbonitrile
PubChem CID123225154
Molecular FormulaC56H31Cl2FN8S
Molecular Weight937.89 g/mol
Exact Mass936.18
IUPAC Name3-[8-chloro-7-[[3-[5-[2-[2-(7-chloro-6-fluoro-1H-indol-3-yl)quinolin-5-yl]-1,3-thiazol-5-yl]quinolin-2-yl]-1H-indol-7-yl]methyl]quinolin-2-yl]-1H-indole-7-carbonitrile
SMILESN#Cc1cccc2c(-c3ccc4ccc(Cc5cccc6c(-c7ccc8c(-c9cnc(-c%10cccc%11nc(-c%12c[nH]c%13c(Cl)c(F)ccc%12%13)ccc%10%11)s9)cccc8n7)c[nH]c56)c(Cl)c4n3)c[nH]c12
InChIInChI=1S/C56H31Cl2FN8S/c57-50-30(14-13-29-15-20-48(67-54(29)50)41-26-62-53-32(24-60)6-2-9-37(41)53)23-31-5-1-8-36-40(25-61-52(31)36)46-21-17-33-35(7-3-11-44(33)65-46)49-28-64-56(68-49)39-10-4-12-45-34(39)18-22-47(66-45)42-27-63-55-38(42)16-19-43(59)51(55)58/h1-22,25-28,61-63H,23H2
InChIKeyGXKMMNDWZBEJPG-UHFFFAOYSA-N
XLogP15.47
TPSA122.72 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500937.89
LogP ≤ 515.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 3-[8-chloro-7-[[3-[5-[2-[2-(7-chloro-6-fluoro-1H-indol-3-yl)quinolin-5-yl]-1,3-thiazol-5-yl]quinolin-2-yl]-1H-indol-7-yl]methyl]quinolin-2-yl]-1H-indole-7-carbonitrile with MolForge

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Related Compounds

2-[8-fluoro-2-(7-fluoro-1H-indol-3-yl)quinolin-5-yl]-5-[2-(7-methyl-1H-indol-3-yl)quinolin-5-yl]-1,3-thiazole
CID 126544158
3-[8-chloro-6-[[3-[5-(1,3-thiazol-5-yl)quinolin-2-yl]-1H-indol-7-yl]methyl]quinolin-2-yl]-1H-indole-7-carbonitrile
CID 123303499
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
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
8-bromo-2-(6,7-dimethyl-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;2-(7-methyl-1H-indol-3-yl)quinoline;5-[2-(7-methyl-1H-indol-3-yl)quinolin-5-yl]-1,3-thiazole;hydrochloride
CID 157858023
8-bromo-2-(6,7-dimethyl-1H-indol-3-yl)quinoline;8-chloro-2-(7-ethynyl-1H-indol-3-yl)quinoline;2-(7-chloro-6-methyl-1H-indol-3-yl)quinoline;2-(7-ethynyl-1H-indol-3-yl)-7-fluoroquinoline;2-(5-fluoro-7-methyl-1H-indol-3-yl)quinoline;8-fluoro-2-(7-methyl-1H-indol-3-yl)quinoline;2-(1H-indol-3-yl)-4-methylquinoline;2-(7-methyl-1H-indol-3-yl)quinoline;5-[2-(7-methyl-1H-indol-3-yl)quinolin-5-yl]-1,3-thiazole;hydrochloride
CID 159055462
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-(4-chloro-5-methyl-3H-inden-1-yl)quinoline;2-(7-ethynyl-1H-indol-3-yl)-7-fluoroquinoline;8-fluoro-2-(4-methyl-3H-inden-1-yl)quinoline;2-(5-fluoro-7-methyl-1H-indol-3-yl)quinoline;2-(1H-indol-3-yl)-4-methylquinoline;5-[2-(7-methyl-1H-indol-3-yl)quinolin-5-yl]-1,3-thiazole
CID 161604740

Frequently Asked Questions

What is the IUPAC name of 3-[8-chloro-7-[[3-[5-[2-[2-(7-chloro-6-fluoro-1H-indol-3-yl)quinolin-5-yl]-1,3-thiazol-5-yl]quinolin-2-yl]-1H-indol-7-yl]methyl]quinolin-2-yl]-1H-indole-7-carbonitrile?
The IUPAC name of 3-[8-chloro-7-[[3-[5-[2-[2-(7-chloro-6-fluoro-1H-indol-3-yl)quinolin-5-yl]-1,3-thiazol-5-yl]quinolin-2-yl]-1H-indol-7-yl]methyl]quinolin-2-yl]-1H-indole-7-carbonitrile (CID 123225154) is 3-[8-chloro-7-[[3-[5-[2-[2-(7-chloro-6-fluoro-1H-indol-3-yl)quinolin-5-yl]-1,3-thiazol-5-yl]quinolin-2-yl]-1H-indol-7-yl]methyl]quinolin-2-yl]-1H-indole-7-carbonitrile.
What is the SMILES notation for 3-[8-chloro-7-[[3-[5-[2-[2-(7-chloro-6-fluoro-1H-indol-3-yl)quinolin-5-yl]-1,3-thiazol-5-yl]quinolin-2-yl]-1H-indol-7-yl]methyl]quinolin-2-yl]-1H-indole-7-carbonitrile?
The canonical SMILES for 3-[8-chloro-7-[[3-[5-[2-[2-(7-chloro-6-fluoro-1H-indol-3-yl)quinolin-5-yl]-1,3-thiazol-5-yl]quinolin-2-yl]-1H-indol-7-yl]methyl]quinolin-2-yl]-1H-indole-7-carbonitrile is N#Cc1cccc2c(-c3ccc4ccc(Cc5cccc6c(-c7ccc8c(-c9cnc(-c%10cccc%11nc(-c%12c[nH]c%13c(Cl)c(F)ccc%12%13)ccc%10%11)s9)cccc8n7)c[nH]c56)c(Cl)c4n3)c[nH]c12.
What is the InChIKey of 3-[8-chloro-7-[[3-[5-[2-[2-(7-chloro-6-fluoro-1H-indol-3-yl)quinolin-5-yl]-1,3-thiazol-5-yl]quinolin-2-yl]-1H-indol-7-yl]methyl]quinolin-2-yl]-1H-indole-7-carbonitrile?
The InChIKey is GXKMMNDWZBEJPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H31Cl2FN8S/c57-50-30(14-13-29-15-20-48(67-54(29)50)41-26-62-53-32(24-60)6-2-9-37(41)53)23-31-5-1-8-36-40(25-61-52(31)36)46-21-17-33-35(7-3-11-44(33)65-46)49-28-64-56(68-49)39-10-4-12-45-34(39)18-22-47(66-45)42-27-63-55-38(42)16-19-43(59)51(55)58/h1-22,25-28,61-63H,23H2.
What are the key properties of 3-[8-chloro-7-[[3-[5-[2-[2-(7-chloro-6-fluoro-1H-indol-3-yl)quinolin-5-yl]-1,3-thiazol-5-yl]quinolin-2-yl]-1H-indol-7-yl]methyl]quinolin-2-yl]-1H-indole-7-carbonitrile?
3-[8-chloro-7-[[3-[5-[2-[2-(7-chloro-6-fluoro-1H-indol-3-yl)quinolin-5-yl]-1,3-thiazol-5-yl]quinolin-2-yl]-1H-indol-7-yl]methyl]quinolin-2-yl]-1H-indole-7-carbonitrile has a molecular weight of 937.89 g/mol, XLogP of 15.47, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[8-chloro-7-[[3-[5-[2-[2-(7-chloro-6-fluoro-1H-indol-3-yl)quinolin-5-yl]-1,3-thiazol-5-yl]quinolin-2-yl]-1H-indol-7-yl]methyl]quinolin-2-yl]-1H-indole-7-carbonitrile is sourced from PubChem (CID 123225154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).