2-(4-imidazo[4,5-c]quinolin-1-ylphenyl)-2-methylpropanenitrile

C20H16N4 — CID 150053461

IUPAC2-(4-imidazo[4,5-c]quinolin-1-ylphenyl)-2-methylpropanenitrile
SMILESCC(C)(C#N)c1ccc(-n2cnc3cnc4ccccc4c32)cc1
InChIInChI=1S/C20H16N4/c1-20(2,12-21)14-7-9-15(10-8-14)24-13-23-18-11-22-17-6-4-3-5-16(17)19(18)24/h3-11,13H,1-2H3
InChIKeyDLUCZROSYJEAQY-UHFFFAOYSA-N
MW312.38 g/mol
LogP4.37
Rot. Bonds2

About 2-(4-imidazo[4,5-c]quinolin-1-ylphenyl)-2-methylpropanenitrile

2-(4-imidazo[4,5-c]quinolin-1-ylphenyl)-2-methylpropanenitrile (PubChem CID 150053461) has the molecular formula C20H16N4 and a molecular weight of 312.38 g/mol. Its IUPAC name is 2-(4-imidazo[4,5-c]quinolin-1-ylphenyl)-2-methylpropanenitrile.

Molecular Properties

Compound Name2-(4-imidazo[4,5-c]quinolin-1-ylphenyl)-2-methylpropanenitrile
PubChem CID150053461
Molecular FormulaC20H16N4
Molecular Weight312.38 g/mol
Exact Mass312.14
IUPAC Name2-(4-imidazo[4,5-c]quinolin-1-ylphenyl)-2-methylpropanenitrile
SMILESCC(C)(C#N)c1ccc(-n2cnc3cnc4ccccc4c32)cc1
InChIInChI=1S/C20H16N4/c1-20(2,12-21)14-7-9-15(10-8-14)24-13-23-18-11-22-17-6-4-3-5-16(17)19(18)24/h3-11,13H,1-2H3
InChIKeyDLUCZROSYJEAQY-UHFFFAOYSA-N
XLogP4.37
TPSA54.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.38
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-tert-butylimidazo[4,5-c]quinoline
CID 14986962
imidazo[4,5-c]quinolin-1-amine
CID 21075713
2-methyl-2-[4-(3-methyl-8-quinolin-3-yloxy-2-sulfanylideneimidazo[4,5-c]quinolin-1-yl)phenyl]propanenitrile
CID 152759432
2-methyl-2-[4-[2-oxo-8-quinolin-3-yl-3-(trideuteriomethyl)imidazo[4,5-c]quinolin-1-yl]phenyl]propanenitrile
CID 25207809
2-methyl-2-[4-(4-quinolin-3-yl-8,11,13,14,16-pentazatetracyclo[8.6.0.02,7.011,15]hexadeca-1,3,5,7,9,12,14-heptaen-16-yl)phenyl]propanenitrile
CID 140886703
imidazo[4,5-c]quinolin-1-amine;hydrochloride
CID 159366776
2-[4-[8-(4-aminophenyl)-2-methylimidazo[4,5-c]quinolin-1-yl]phenyl]-2-methylpropanenitrile
CID 175554808
2-methyl-2-[4-[2-methyl-8-(2-pyridin-3-ylethynyl)imidazo[4,5-c]quinolin-1-yl]phenyl]propanenitrile
CID 24882589
2-[4-(8-thiophen-2-ylimidazo[4,5-c]quinolin-1-yl)phenyl]acetonitrile
CID 11314587
2-[4-(8-bromo-2-hydrazinylimidazo[4,5-c]quinolin-1-yl)phenyl]-2-methylpropanenitrile
CID 135221688
2-methyl-2-[4-(3-methyl-2-oxo-8-quinolin-3-ylimidazo[4,5-c][1,5]naphthyridin-1-yl)phenyl]propanenitrile
CID 45254588
N-imidazo[4,5-c]quinolin-1-ylpropan-2-imine
CID 21075782

Frequently Asked Questions

What is the IUPAC name of 2-(4-imidazo[4,5-c]quinolin-1-ylphenyl)-2-methylpropanenitrile?
The IUPAC name of 2-(4-imidazo[4,5-c]quinolin-1-ylphenyl)-2-methylpropanenitrile (CID 150053461) is 2-(4-imidazo[4,5-c]quinolin-1-ylphenyl)-2-methylpropanenitrile.
What is the SMILES notation for 2-(4-imidazo[4,5-c]quinolin-1-ylphenyl)-2-methylpropanenitrile?
The canonical SMILES for 2-(4-imidazo[4,5-c]quinolin-1-ylphenyl)-2-methylpropanenitrile is CC(C)(C#N)c1ccc(-n2cnc3cnc4ccccc4c32)cc1.
What is the InChIKey of 2-(4-imidazo[4,5-c]quinolin-1-ylphenyl)-2-methylpropanenitrile?
The InChIKey is DLUCZROSYJEAQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4/c1-20(2,12-21)14-7-9-15(10-8-14)24-13-23-18-11-22-17-6-4-3-5-16(17)19(18)24/h3-11,13H,1-2H3.
What are the key properties of 2-(4-imidazo[4,5-c]quinolin-1-ylphenyl)-2-methylpropanenitrile?
2-(4-imidazo[4,5-c]quinolin-1-ylphenyl)-2-methylpropanenitrile has a molecular weight of 312.38 g/mol, XLogP of 4.37, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-imidazo[4,5-c]quinolin-1-ylphenyl)-2-methylpropanenitrile is sourced from PubChem (CID 150053461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).