2,3-bis[4-(7-fluoro-8-thiophen-3-ylimidazo[4,5-c]quinolin-1-yl)phenyl]butanedinitrile

C44H24F2N8S2 — CID 69157596

IUPAC2,3-bis[4-(7-fluoro-8-thiophen-3-ylimidazo[4,5-c]quinolin-1-yl)phenyl]butanedinitrile
SMILESN#CC(c1ccc(-n2cnc3cnc4cc(F)c(-c5ccsc5)cc4c32)cc1)C(C#N)c1ccc(-n2cnc3cnc4cc(F)c(-c5ccsc5)cc4c32)cc1
InChIInChI=1S/C44H24F2N8S2/c45-37-15-39-33(13-31(37)27-9-11-55-21-27)43-41(19-49-39)51-23-53(43)29-5-1-25(2-6-29)35(17-47)36(18-48)26-3-7-30(8-4-26)54-24-52-42-20-50-40-16-38(46)32(14-34(40)44(42)54)28-10-12-56-22-28/h1-16,19-24,35-36H
InChIKeyMYCOJGLEZLMWFY-UHFFFAOYSA-N
MW766.86 g/mol
LogP11.11
Rot. Bonds7

About 2,3-bis[4-(7-fluoro-8-thiophen-3-ylimidazo[4,5-c]quinolin-1-yl)phenyl]butanedinitrile

2,3-bis[4-(7-fluoro-8-thiophen-3-ylimidazo[4,5-c]quinolin-1-yl)phenyl]butanedinitrile (PubChem CID 69157596) has the molecular formula C44H24F2N8S2 and a molecular weight of 766.86 g/mol. Its IUPAC name is 2,3-bis[4-(7-fluoro-8-thiophen-3-ylimidazo[4,5-c]quinolin-1-yl)phenyl]butanedinitrile.

Molecular Properties

Compound Name2,3-bis[4-(7-fluoro-8-thiophen-3-ylimidazo[4,5-c]quinolin-1-yl)phenyl]butanedinitrile
PubChem CID69157596
Molecular FormulaC44H24F2N8S2
Molecular Weight766.86 g/mol
Exact Mass766.15
IUPAC Name2,3-bis[4-(7-fluoro-8-thiophen-3-ylimidazo[4,5-c]quinolin-1-yl)phenyl]butanedinitrile
SMILESN#CC(c1ccc(-n2cnc3cnc4cc(F)c(-c5ccsc5)cc4c32)cc1)C(C#N)c1ccc(-n2cnc3cnc4cc(F)c(-c5ccsc5)cc4c32)cc1
InChIInChI=1S/C44H24F2N8S2/c45-37-15-39-33(13-31(37)27-9-11-55-21-27)43-41(19-49-39)51-23-53(43)29-5-1-25(2-6-29)35(17-47)36(18-48)26-3-7-30(8-4-26)54-24-52-42-20-50-40-16-38(46)32(14-34(40)44(42)54)28-10-12-56-22-28/h1-16,19-24,35-36H
InChIKeyMYCOJGLEZLMWFY-UHFFFAOYSA-N
XLogP11.11
TPSA109.00 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500766.86
LogP ≤ 511.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 2,3-bis[4-(7-fluoro-8-thiophen-3-ylimidazo[4,5-c]quinolin-1-yl)phenyl]butanedinitrile with MolForge

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Launch Full Analysis

Related Compounds

2-[[1-[4,4-Bis(4-fluorophenyl)butyl]piperidin-4-yl]methyl]-3-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridine
CID 14013470
6-[(8-Fluoro-6-thiophen-3-ylimidazo[1,2-a]pyridin-3-yl)methyl]quinoline
CID 122179433
2-[4-(8-Thiophen-3-ylimidazo[4,5-c][1,7]naphthyridin-1-yl)phenyl]acetonitrile
CID 134148617
2-[4-(8-Thiophen-3-ylimidazo[4,5-c]quinolin-1-yl)phenyl]acetonitrile
CID 134141902
6-(6-Thiophen-2-ylimidazo[1,2-a]pyrazin-3-yl)quinoline
CID 155544174
6-(6-Thiophen-3-ylimidazo[1,2-a]pyrazin-3-yl)quinoline
CID 155568714
6-(2-Thiophen-3-ylimidazo[1,2-a]pyridin-6-yl)quinazolin-2-amine
CID 11631533
2-[4-(7-Fluoro-8-thiophen-3-ylimidazo[4,5-c]quinolin-1-yl)phenyl]ethanamine
CID 11303793
2-[4-(7-Fluoro-8-thiophen-2-ylimidazo[4,5-c]quinolin-1-yl)phenyl]acetonitrile
CID 11361115
2-[4-[8-(1-Benzothiophen-2-yl)-7-fluoroimidazo[4,5-c]quinolin-1-yl]phenyl]acetonitrile
CID 11362541
2-[4-(7-Fluoro-8-thiophen-3-ylimidazo[4,5-c]quinolin-1-yl)phenyl]acetonitrile
CID 11417741
2-[4-(7-Fluoro-8-thiophen-2-ylimidazo[4,5-c]quinolin-1-yl)phenyl]ethanamine
CID 11463389

Frequently Asked Questions

What is the IUPAC name of 2,3-bis[4-(7-fluoro-8-thiophen-3-ylimidazo[4,5-c]quinolin-1-yl)phenyl]butanedinitrile?
The IUPAC name of 2,3-bis[4-(7-fluoro-8-thiophen-3-ylimidazo[4,5-c]quinolin-1-yl)phenyl]butanedinitrile (CID 69157596) is 2,3-bis[4-(7-fluoro-8-thiophen-3-ylimidazo[4,5-c]quinolin-1-yl)phenyl]butanedinitrile.
What is the SMILES notation for 2,3-bis[4-(7-fluoro-8-thiophen-3-ylimidazo[4,5-c]quinolin-1-yl)phenyl]butanedinitrile?
The canonical SMILES for 2,3-bis[4-(7-fluoro-8-thiophen-3-ylimidazo[4,5-c]quinolin-1-yl)phenyl]butanedinitrile is N#CC(c1ccc(-n2cnc3cnc4cc(F)c(-c5ccsc5)cc4c32)cc1)C(C#N)c1ccc(-n2cnc3cnc4cc(F)c(-c5ccsc5)cc4c32)cc1.
What is the InChIKey of 2,3-bis[4-(7-fluoro-8-thiophen-3-ylimidazo[4,5-c]quinolin-1-yl)phenyl]butanedinitrile?
The InChIKey is MYCOJGLEZLMWFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H24F2N8S2/c45-37-15-39-33(13-31(37)27-9-11-55-21-27)43-41(19-49-39)51-23-53(43)29-5-1-25(2-6-29)35(17-47)36(18-48)26-3-7-30(8-4-26)54-24-52-42-20-50-40-16-38(46)32(14-34(40)44(42)54)28-10-12-56-22-28/h1-16,19-24,35-36H.
What are the key properties of 2,3-bis[4-(7-fluoro-8-thiophen-3-ylimidazo[4,5-c]quinolin-1-yl)phenyl]butanedinitrile?
2,3-bis[4-(7-fluoro-8-thiophen-3-ylimidazo[4,5-c]quinolin-1-yl)phenyl]butanedinitrile has a molecular weight of 766.86 g/mol, XLogP of 11.11, 7 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis[4-(7-fluoro-8-thiophen-3-ylimidazo[4,5-c]quinolin-1-yl)phenyl]butanedinitrile is sourced from PubChem (CID 69157596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).