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

C23H16ClN5S — CID 11362432

IUPAC3-[4-(2-amino-7-chloro-8-thiophen-3-ylimidazo[4,5-c]quinolin-1-yl)phenyl]propanenitrile
SMILESN#CCCc1ccc(-n2c(N)nc3cnc4cc(Cl)c(-c5ccsc5)cc4c32)cc1
InChIInChI=1S/C23H16ClN5S/c24-19-11-20-18(10-17(19)15-7-9-30-13-15)22-21(12-27-20)28-23(26)29(22)16-5-3-14(4-6-16)2-1-8-25/h3-7,9-13H,1-2H2,(H2,26,28)
InChIKeyHBOBLYVWNMFPMX-UHFFFAOYSA-N
MW429.94 g/mol
LogP5.99
Rot. Bonds4

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

3-[4-(2-amino-7-chloro-8-thiophen-3-ylimidazo[4,5-c]quinolin-1-yl)phenyl]propanenitrile (PubChem CID 11362432) has the molecular formula C23H16ClN5S and a molecular weight of 429.94 g/mol. Its IUPAC name is 3-[4-(2-amino-7-chloro-8-thiophen-3-ylimidazo[4,5-c]quinolin-1-yl)phenyl]propanenitrile.

Molecular Properties

Compound Name3-[4-(2-amino-7-chloro-8-thiophen-3-ylimidazo[4,5-c]quinolin-1-yl)phenyl]propanenitrile
PubChem CID11362432
Molecular FormulaC23H16ClN5S
Molecular Weight429.94 g/mol
Exact Mass429.08
IUPAC Name3-[4-(2-amino-7-chloro-8-thiophen-3-ylimidazo[4,5-c]quinolin-1-yl)phenyl]propanenitrile
SMILESN#CCCc1ccc(-n2c(N)nc3cnc4cc(Cl)c(-c5ccsc5)cc4c32)cc1
InChIInChI=1S/C23H16ClN5S/c24-19-11-20-18(10-17(19)15-7-9-30-13-15)22-21(12-27-20)28-23(26)29(22)16-5-3-14(4-6-16)2-1-8-25/h3-7,9-13H,1-2H2,(H2,26,28)
InChIKeyHBOBLYVWNMFPMX-UHFFFAOYSA-N
XLogP5.99
TPSA80.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.94
LogP ≤ 55.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3-chloro-4-(7-chloro-8-thiophen-3-ylimidazo[4,5-c]quinolin-1-yl)phenyl]acetonitrile
CID 69157085
3-[4-[7-chloro-8-(1H-indol-5-yl)imidazo[4,5-c]quinolin-1-yl]phenyl]propanenitrile
CID 160782979
3-[3-chloro-4-(7-chloro-8-thiophen-3-ylimidazo[4,5-c]quinolin-1-yl)phenyl]propan-1-amine
CID 69156768
2-[3-chloro-4-(7-fluoro-8-thiophen-3-ylimidazo[4,5-c]quinolin-1-yl)phenyl]acetonitrile
CID 157084721
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-2-ylimidazo[4,5-c]quinolin-1-yl)phenyl]propanenitrile
CID 69156469
2-[4-(8-thiophen-3-ylimidazo[4,5-c][1,7]naphthyridin-1-yl)phenyl]acetonitrile
CID 134148617
CID 87724629
CID 87724629
3-[4-[8-(1-benzofuran-2-yl)-7-fluoroimidazo[4,5-c]quinolin-1-yl]phenyl]propanenitrile
CID 69157567
2-[3-chloro-4-(7-chloro-8-thiophen-2-ylimidazo[4,5-c]quinolin-1-yl)phenyl]acetonitrile
CID 69156709
7-fluoro-1-phenyl-8-thiophen-3-ylimidazo[4,5-c]quinoline
CID 141118135
3-[3-chloro-4-(8-thiophen-2-ylimidazo[4,5-c]quinolin-1-yl)phenyl]propanenitrile
CID 69156254

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-amino-7-chloro-8-thiophen-3-ylimidazo[4,5-c]quinolin-1-yl)phenyl]propanenitrile?
The IUPAC name of 3-[4-(2-amino-7-chloro-8-thiophen-3-ylimidazo[4,5-c]quinolin-1-yl)phenyl]propanenitrile (CID 11362432) is 3-[4-(2-amino-7-chloro-8-thiophen-3-ylimidazo[4,5-c]quinolin-1-yl)phenyl]propanenitrile.
What is the SMILES notation for 3-[4-(2-amino-7-chloro-8-thiophen-3-ylimidazo[4,5-c]quinolin-1-yl)phenyl]propanenitrile?
The canonical SMILES for 3-[4-(2-amino-7-chloro-8-thiophen-3-ylimidazo[4,5-c]quinolin-1-yl)phenyl]propanenitrile is N#CCCc1ccc(-n2c(N)nc3cnc4cc(Cl)c(-c5ccsc5)cc4c32)cc1.
What is the InChIKey of 3-[4-(2-amino-7-chloro-8-thiophen-3-ylimidazo[4,5-c]quinolin-1-yl)phenyl]propanenitrile?
The InChIKey is HBOBLYVWNMFPMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16ClN5S/c24-19-11-20-18(10-17(19)15-7-9-30-13-15)22-21(12-27-20)28-23(26)29(22)16-5-3-14(4-6-16)2-1-8-25/h3-7,9-13H,1-2H2,(H2,26,28).
What are the key properties of 3-[4-(2-amino-7-chloro-8-thiophen-3-ylimidazo[4,5-c]quinolin-1-yl)phenyl]propanenitrile?
3-[4-(2-amino-7-chloro-8-thiophen-3-ylimidazo[4,5-c]quinolin-1-yl)phenyl]propanenitrile has a molecular weight of 429.94 g/mol, XLogP of 5.99, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-amino-7-chloro-8-thiophen-3-ylimidazo[4,5-c]quinolin-1-yl)phenyl]propanenitrile is sourced from PubChem (CID 11362432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).