4-(7,8-dimethoxy-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl)benzonitrile

C20H16N4O3 — CID 56847216

IUPAC4-(7,8-dimethoxy-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl)benzonitrile
SMILESCOc1cc2ncc3c(c2cc1OC)n(-c1ccc(C#N)cc1)c(=O)n3C
InChIInChI=1S/C20H16N4O3/c1-23-16-11-22-15-9-18(27-3)17(26-2)8-14(15)19(16)24(20(23)25)13-6-4-12(10-21)5-7-13/h4-9,11H,1-3H3
InChIKeySYUDMOORJNMDLQ-UHFFFAOYSA-N
MW360.37 g/mol
LogP2.77
Rot. Bonds3

About 4-(7,8-dimethoxy-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl)benzonitrile

4-(7,8-dimethoxy-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl)benzonitrile (PubChem CID 56847216) has the molecular formula C20H16N4O3 and a molecular weight of 360.37 g/mol. Its IUPAC name is 4-(7,8-dimethoxy-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl)benzonitrile.

Molecular Properties

Compound Name4-(7,8-dimethoxy-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl)benzonitrile
PubChem CID56847216
Molecular FormulaC20H16N4O3
Molecular Weight360.37 g/mol
Exact Mass360.12
IUPAC Name4-(7,8-dimethoxy-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl)benzonitrile
SMILESCOc1cc2ncc3c(c2cc1OC)n(-c1ccc(C#N)cc1)c(=O)n3C
InChIInChI=1S/C20H16N4O3/c1-23-16-11-22-15-9-18(27-3)17(26-2)8-14(15)19(16)24(20(23)25)13-6-4-12(10-21)5-7-13/h4-9,11H,1-3H3
InChIKeySYUDMOORJNMDLQ-UHFFFAOYSA-N
XLogP2.77
TPSA82.07 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.37
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(7,8-dimethoxy-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl)benzonitrile?
The IUPAC name of 4-(7,8-dimethoxy-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl)benzonitrile (CID 56847216) is 4-(7,8-dimethoxy-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl)benzonitrile.
What is the SMILES notation for 4-(7,8-dimethoxy-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl)benzonitrile?
The canonical SMILES for 4-(7,8-dimethoxy-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl)benzonitrile is COc1cc2ncc3c(c2cc1OC)n(-c1ccc(C#N)cc1)c(=O)n3C.
What is the InChIKey of 4-(7,8-dimethoxy-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl)benzonitrile?
The InChIKey is SYUDMOORJNMDLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O3/c1-23-16-11-22-15-9-18(27-3)17(26-2)8-14(15)19(16)24(20(23)25)13-6-4-12(10-21)5-7-13/h4-9,11H,1-3H3.
What are the key properties of 4-(7,8-dimethoxy-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl)benzonitrile?
4-(7,8-dimethoxy-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl)benzonitrile has a molecular weight of 360.37 g/mol, XLogP of 2.77, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7,8-dimethoxy-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl)benzonitrile is sourced from PubChem (CID 56847216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).