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

C22H14N4S — CID 134141902

IUPAC2-[4-(8-thiophen-3-ylimidazo[4,5-c]quinolin-1-yl)phenyl]acetonitrile
SMILESN#CCc1ccc(-n2cnc3cnc4ccc(-c5ccsc5)cc4c32)cc1
InChIInChI=1S/C22H14N4S/c23-9-7-15-1-4-18(5-2-15)26-14-25-21-12-24-20-6-3-16(11-19(20)22(21)26)17-8-10-27-13-17/h1-6,8,10-14H,7H2
InChIKeyLAPRMRQFLNUIQX-UHFFFAOYSA-N
MW366.45 g/mol
LogP5.37
Rot. Bonds3

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

2-[4-(8-thiophen-3-ylimidazo[4,5-c]quinolin-1-yl)phenyl]acetonitrile (PubChem CID 134141902) has the molecular formula C22H14N4S and a molecular weight of 366.45 g/mol. Its IUPAC name is 2-[4-(8-thiophen-3-ylimidazo[4,5-c]quinolin-1-yl)phenyl]acetonitrile.

Molecular Properties

Compound Name2-[4-(8-thiophen-3-ylimidazo[4,5-c]quinolin-1-yl)phenyl]acetonitrile
PubChem CID134141902
Molecular FormulaC22H14N4S
Molecular Weight366.45 g/mol
Exact Mass366.09
IUPAC Name2-[4-(8-thiophen-3-ylimidazo[4,5-c]quinolin-1-yl)phenyl]acetonitrile
SMILESN#CCc1ccc(-n2cnc3cnc4ccc(-c5ccsc5)cc4c32)cc1
InChIInChI=1S/C22H14N4S/c23-9-7-15-1-4-18(5-2-15)26-14-25-21-12-24-20-6-3-16(11-19(20)22(21)26)17-8-10-27-13-17/h1-6,8,10-14H,7H2
InChIKeyLAPRMRQFLNUIQX-UHFFFAOYSA-N
XLogP5.37
TPSA54.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.45
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(8-thiophen-3-ylimidazo[4,5-c]quinolin-1-yl)phenyl]acetonitrile?
The IUPAC name of 2-[4-(8-thiophen-3-ylimidazo[4,5-c]quinolin-1-yl)phenyl]acetonitrile (CID 134141902) is 2-[4-(8-thiophen-3-ylimidazo[4,5-c]quinolin-1-yl)phenyl]acetonitrile.
What is the SMILES notation for 2-[4-(8-thiophen-3-ylimidazo[4,5-c]quinolin-1-yl)phenyl]acetonitrile?
The canonical SMILES for 2-[4-(8-thiophen-3-ylimidazo[4,5-c]quinolin-1-yl)phenyl]acetonitrile is N#CCc1ccc(-n2cnc3cnc4ccc(-c5ccsc5)cc4c32)cc1.
What is the InChIKey of 2-[4-(8-thiophen-3-ylimidazo[4,5-c]quinolin-1-yl)phenyl]acetonitrile?
The InChIKey is LAPRMRQFLNUIQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14N4S/c23-9-7-15-1-4-18(5-2-15)26-14-25-21-12-24-20-6-3-16(11-19(20)22(21)26)17-8-10-27-13-17/h1-6,8,10-14H,7H2.
What are the key properties of 2-[4-(8-thiophen-3-ylimidazo[4,5-c]quinolin-1-yl)phenyl]acetonitrile?
2-[4-(8-thiophen-3-ylimidazo[4,5-c]quinolin-1-yl)phenyl]acetonitrile has a molecular weight of 366.45 g/mol, XLogP of 5.37, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(8-thiophen-3-ylimidazo[4,5-c]quinolin-1-yl)phenyl]acetonitrile is sourced from PubChem (CID 134141902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).