3-[3-chloro-4-(7-chloro-8-thiophen-2-ylimidazo[4,5-c]quinolin-1-yl)phenyl]propanenitrile

C23H14Cl2N4S — CID 69156469

IUPAC3-[3-chloro-4-(7-chloro-8-thiophen-2-ylimidazo[4,5-c]quinolin-1-yl)phenyl]propanenitrile
SMILESN#CCCc1ccc(-n2cnc3cnc4cc(Cl)c(-c5cccs5)cc4c32)c(Cl)c1
InChIInChI=1S/C23H14Cl2N4S/c24-17-11-19-16(10-15(17)22-4-2-8-30-22)23-20(12-27-19)28-13-29(23)21-6-5-14(3-1-7-26)9-18(21)25/h2,4-6,8-13H,1,3H2
InChIKeySVTPVLUEQNUHTQ-UHFFFAOYSA-N
MW449.37 g/mol
LogP7.07
Rot. Bonds4

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

3-[3-chloro-4-(7-chloro-8-thiophen-2-ylimidazo[4,5-c]quinolin-1-yl)phenyl]propanenitrile (PubChem CID 69156469) has the molecular formula C23H14Cl2N4S and a molecular weight of 449.37 g/mol. Its IUPAC name is 3-[3-chloro-4-(7-chloro-8-thiophen-2-ylimidazo[4,5-c]quinolin-1-yl)phenyl]propanenitrile.

Molecular Properties

Compound Name3-[3-chloro-4-(7-chloro-8-thiophen-2-ylimidazo[4,5-c]quinolin-1-yl)phenyl]propanenitrile
PubChem CID69156469
Molecular FormulaC23H14Cl2N4S
Molecular Weight449.37 g/mol
Exact Mass448.03
IUPAC Name3-[3-chloro-4-(7-chloro-8-thiophen-2-ylimidazo[4,5-c]quinolin-1-yl)phenyl]propanenitrile
SMILESN#CCCc1ccc(-n2cnc3cnc4cc(Cl)c(-c5cccs5)cc4c32)c(Cl)c1
InChIInChI=1S/C23H14Cl2N4S/c24-17-11-19-16(10-15(17)22-4-2-8-30-22)23-20(12-27-19)28-13-29(23)21-6-5-14(3-1-7-26)9-18(21)25/h2,4-6,8-13H,1,3H2
InChIKeySVTPVLUEQNUHTQ-UHFFFAOYSA-N
XLogP7.07
TPSA54.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.37
LogP ≤ 57.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-chloro-4-(7-chloro-8-thiophen-2-ylimidazo[4,5-c]quinolin-1-yl)phenyl]acetonitrile
CID 69156709
3-[3-chloro-4-(8-thiophen-2-ylimidazo[4,5-c]quinolin-1-yl)phenyl]propanenitrile
CID 69156254
2-[3-chloro-4-(7-chloro-8-thiophen-3-ylimidazo[4,5-c]quinolin-1-yl)phenyl]acetonitrile
CID 69157085
3-[4-[8-(1-benzofuran-2-yl)-7-chloroimidazo[4,5-c]quinolin-1-yl]phenyl]propanenitrile
CID 11419517
3-[3-chloro-4-(7-chloro-8-thiophen-3-ylimidazo[4,5-c]quinolin-1-yl)phenyl]propan-1-amine
CID 69156768
3-[4-[7-chloro-8-(1H-indol-5-yl)imidazo[4,5-c]quinolin-1-yl]phenyl]propanenitrile
CID 160782979
2-[4-(8-thiophen-2-ylimidazo[4,5-c]quinolin-1-yl)phenyl]acetonitrile
CID 11314587
2-[3-chloro-4-[7-fluoro-8-(1H-indol-5-yl)imidazo[4,5-c]quinolin-1-yl]phenyl]acetonitrile
CID 69158052
2-[2-chloro-4-(8-thiophen-2-ylimidazo[4,5-c]quinolin-1-yl)phenyl]acetonitrile
CID 11211762
3-[4-[8-(1-benzofuran-2-yl)-7-fluoroimidazo[4,5-c]quinolin-1-yl]phenyl]propanenitrile
CID 69157567
2-[4-[8-(1-benzothiophen-2-yl)-7-fluoroimidazo[4,5-c]quinolin-1-yl]phenyl]acetonitrile
CID 11362541
8-chloro-1-(2-chlorophenyl)imidazo[4,5-c]quinoline
CID 10448328

Frequently Asked Questions

What is the IUPAC name of 3-[3-chloro-4-(7-chloro-8-thiophen-2-ylimidazo[4,5-c]quinolin-1-yl)phenyl]propanenitrile?
The IUPAC name of 3-[3-chloro-4-(7-chloro-8-thiophen-2-ylimidazo[4,5-c]quinolin-1-yl)phenyl]propanenitrile (CID 69156469) is 3-[3-chloro-4-(7-chloro-8-thiophen-2-ylimidazo[4,5-c]quinolin-1-yl)phenyl]propanenitrile.
What is the SMILES notation for 3-[3-chloro-4-(7-chloro-8-thiophen-2-ylimidazo[4,5-c]quinolin-1-yl)phenyl]propanenitrile?
The canonical SMILES for 3-[3-chloro-4-(7-chloro-8-thiophen-2-ylimidazo[4,5-c]quinolin-1-yl)phenyl]propanenitrile is N#CCCc1ccc(-n2cnc3cnc4cc(Cl)c(-c5cccs5)cc4c32)c(Cl)c1.
What is the InChIKey of 3-[3-chloro-4-(7-chloro-8-thiophen-2-ylimidazo[4,5-c]quinolin-1-yl)phenyl]propanenitrile?
The InChIKey is SVTPVLUEQNUHTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14Cl2N4S/c24-17-11-19-16(10-15(17)22-4-2-8-30-22)23-20(12-27-19)28-13-29(23)21-6-5-14(3-1-7-26)9-18(21)25/h2,4-6,8-13H,1,3H2.
What are the key properties of 3-[3-chloro-4-(7-chloro-8-thiophen-2-ylimidazo[4,5-c]quinolin-1-yl)phenyl]propanenitrile?
3-[3-chloro-4-(7-chloro-8-thiophen-2-ylimidazo[4,5-c]quinolin-1-yl)phenyl]propanenitrile has a molecular weight of 449.37 g/mol, XLogP of 7.07, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-chloro-4-(7-chloro-8-thiophen-2-ylimidazo[4,5-c]quinolin-1-yl)phenyl]propanenitrile is sourced from PubChem (CID 69156469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).