4-(2-imidazo[4,5-c]quinolin-1-ylbutoxymethyl)benzonitrile

C22H20N4O — CID 22254517

IUPAC4-(2-imidazo[4,5-c]quinolin-1-ylbutoxymethyl)benzonitrile
SMILESCCC(COCc1ccc(C#N)cc1)n1cnc2cnc3ccccc3c21
InChIInChI=1S/C22H20N4O/c1-2-18(14-27-13-17-9-7-16(11-23)8-10-17)26-15-25-21-12-24-20-6-4-3-5-19(20)22(21)26/h3-10,12,15,18H,2,13-14H2,1H3
InChIKeySVNAOMOUTKTRTE-UHFFFAOYSA-N
MW356.43 g/mol
LogP4.62
Rot. Bonds6

About 4-(2-imidazo[4,5-c]quinolin-1-ylbutoxymethyl)benzonitrile

4-(2-imidazo[4,5-c]quinolin-1-ylbutoxymethyl)benzonitrile (PubChem CID 22254517) has the molecular formula C22H20N4O and a molecular weight of 356.43 g/mol. Its IUPAC name is 4-(2-imidazo[4,5-c]quinolin-1-ylbutoxymethyl)benzonitrile.

Molecular Properties

Compound Name4-(2-imidazo[4,5-c]quinolin-1-ylbutoxymethyl)benzonitrile
PubChem CID22254517
Molecular FormulaC22H20N4O
Molecular Weight356.43 g/mol
Exact Mass356.16
IUPAC Name4-(2-imidazo[4,5-c]quinolin-1-ylbutoxymethyl)benzonitrile
SMILESCCC(COCc1ccc(C#N)cc1)n1cnc2cnc3ccccc3c21
InChIInChI=1S/C22H20N4O/c1-2-18(14-27-13-17-9-7-16(11-23)8-10-17)26-15-25-21-12-24-20-6-4-3-5-19(20)22(21)26/h3-10,12,15,18H,2,13-14H2,1H3
InChIKeySVNAOMOUTKTRTE-UHFFFAOYSA-N
XLogP4.62
TPSA63.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2-imidazo[4,5-c]quinolin-1-ylbutoxymethyl)benzonitrile?
The IUPAC name of 4-(2-imidazo[4,5-c]quinolin-1-ylbutoxymethyl)benzonitrile (CID 22254517) is 4-(2-imidazo[4,5-c]quinolin-1-ylbutoxymethyl)benzonitrile.
What is the SMILES notation for 4-(2-imidazo[4,5-c]quinolin-1-ylbutoxymethyl)benzonitrile?
The canonical SMILES for 4-(2-imidazo[4,5-c]quinolin-1-ylbutoxymethyl)benzonitrile is CCC(COCc1ccc(C#N)cc1)n1cnc2cnc3ccccc3c21.
What is the InChIKey of 4-(2-imidazo[4,5-c]quinolin-1-ylbutoxymethyl)benzonitrile?
The InChIKey is SVNAOMOUTKTRTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O/c1-2-18(14-27-13-17-9-7-16(11-23)8-10-17)26-15-25-21-12-24-20-6-4-3-5-19(20)22(21)26/h3-10,12,15,18H,2,13-14H2,1H3.
What are the key properties of 4-(2-imidazo[4,5-c]quinolin-1-ylbutoxymethyl)benzonitrile?
4-(2-imidazo[4,5-c]quinolin-1-ylbutoxymethyl)benzonitrile has a molecular weight of 356.43 g/mol, XLogP of 4.62, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-imidazo[4,5-c]quinolin-1-ylbutoxymethyl)benzonitrile is sourced from PubChem (CID 22254517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).