5-[8-[6-(dimethylamino)-3-pyridinyl]-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]pyridine-2-carbonitrile

C24H19N7O — CID 57344183

IUPAC5-[8-[6-(dimethylamino)-3-pyridinyl]-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]pyridine-2-carbonitrile
SMILESCN(C)c1ccc(-c2ccc3ncc4c(c3c2)n(-c2ccc(C#N)nc2)c(=O)n4C)cn1
InChIInChI=1S/C24H19N7O/c1-29(2)22-9-5-16(12-28-22)15-4-8-20-19(10-15)23-21(14-27-20)30(3)24(32)31(23)18-7-6-17(11-25)26-13-18/h4-10,12-14H,1-3H3
InChIKeyAWESBXSUKJCOEQ-UHFFFAOYSA-N
MW421.46 g/mol
LogP3.27
Rot. Bonds3

About 5-[8-[6-(dimethylamino)-3-pyridinyl]-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]pyridine-2-carbonitrile

5-[8-[6-(dimethylamino)-3-pyridinyl]-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]pyridine-2-carbonitrile (PubChem CID 57344183) has the molecular formula C24H19N7O and a molecular weight of 421.46 g/mol. Its IUPAC name is 5-[8-[6-(dimethylamino)-3-pyridinyl]-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-[8-[6-(dimethylamino)-3-pyridinyl]-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]pyridine-2-carbonitrile
PubChem CID57344183
Molecular FormulaC24H19N7O
Molecular Weight421.46 g/mol
Exact Mass421.17
IUPAC Name5-[8-[6-(dimethylamino)-3-pyridinyl]-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]pyridine-2-carbonitrile
SMILESCN(C)c1ccc(-c2ccc3ncc4c(c3c2)n(-c2ccc(C#N)nc2)c(=O)n4C)cn1
InChIInChI=1S/C24H19N7O/c1-29(2)22-9-5-16(12-28-22)15-4-8-20-19(10-15)23-21(14-27-20)30(3)24(32)31(23)18-7-6-17(11-25)26-13-18/h4-10,12-14H,1-3H3
InChIKeyAWESBXSUKJCOEQ-UHFFFAOYSA-N
XLogP3.27
TPSA92.63 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.46
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[8-[6-(dimethylamino)-3-pyridinyl]-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]pyridine-2-carbonitrile?
The IUPAC name of 5-[8-[6-(dimethylamino)-3-pyridinyl]-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]pyridine-2-carbonitrile (CID 57344183) is 5-[8-[6-(dimethylamino)-3-pyridinyl]-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]pyridine-2-carbonitrile.
What is the SMILES notation for 5-[8-[6-(dimethylamino)-3-pyridinyl]-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]pyridine-2-carbonitrile?
The canonical SMILES for 5-[8-[6-(dimethylamino)-3-pyridinyl]-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]pyridine-2-carbonitrile is CN(C)c1ccc(-c2ccc3ncc4c(c3c2)n(-c2ccc(C#N)nc2)c(=O)n4C)cn1.
What is the InChIKey of 5-[8-[6-(dimethylamino)-3-pyridinyl]-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]pyridine-2-carbonitrile?
The InChIKey is AWESBXSUKJCOEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N7O/c1-29(2)22-9-5-16(12-28-22)15-4-8-20-19(10-15)23-21(14-27-20)30(3)24(32)31(23)18-7-6-17(11-25)26-13-18/h4-10,12-14H,1-3H3.
What are the key properties of 5-[8-[6-(dimethylamino)-3-pyridinyl]-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]pyridine-2-carbonitrile?
5-[8-[6-(dimethylamino)-3-pyridinyl]-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]pyridine-2-carbonitrile has a molecular weight of 421.46 g/mol, XLogP of 3.27, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[8-[6-(dimethylamino)-3-pyridinyl]-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]pyridine-2-carbonitrile is sourced from PubChem (CID 57344183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).