6,8-dimethyl-4-[(5-methylimidazo[1,2-a]pyridin-2-yl)methylamino]quinoline-3-carbonitrile

C21H19N5 — CID 133321621

IUPAC6,8-dimethyl-4-[(5-methylimidazo[1,2-a]pyridin-2-yl)methylamino]quinoline-3-carbonitrile
SMILESCc1cc(C)c2ncc(C#N)c(NCc3cn4c(C)cccc4n3)c2c1
InChIInChI=1S/C21H19N5/c1-13-7-14(2)20-18(8-13)21(16(9-22)10-23-20)24-11-17-12-26-15(3)5-4-6-19(26)25-17/h4-8,10,12H,11H2,1-3H3,(H,23,24)
InChIKeyUCVVSVJJSPDVJW-UHFFFAOYSA-N
MW341.42 g/mol
LogP4.29
Rot. Bonds3

About 6,8-dimethyl-4-[(5-methylimidazo[1,2-a]pyridin-2-yl)methylamino]quinoline-3-carbonitrile

6,8-dimethyl-4-[(5-methylimidazo[1,2-a]pyridin-2-yl)methylamino]quinoline-3-carbonitrile (PubChem CID 133321621) has the molecular formula C21H19N5 and a molecular weight of 341.42 g/mol. Its IUPAC name is 6,8-dimethyl-4-[(5-methylimidazo[1,2-a]pyridin-2-yl)methylamino]quinoline-3-carbonitrile.

Molecular Properties

Compound Name6,8-dimethyl-4-[(5-methylimidazo[1,2-a]pyridin-2-yl)methylamino]quinoline-3-carbonitrile
PubChem CID133321621
Molecular FormulaC21H19N5
Molecular Weight341.42 g/mol
Exact Mass341.16
IUPAC Name6,8-dimethyl-4-[(5-methylimidazo[1,2-a]pyridin-2-yl)methylamino]quinoline-3-carbonitrile
SMILESCc1cc(C)c2ncc(C#N)c(NCc3cn4c(C)cccc4n3)c2c1
InChIInChI=1S/C21H19N5/c1-13-7-14(2)20-18(8-13)21(16(9-22)10-23-20)24-11-17-12-26-15(3)5-4-6-19(26)25-17/h4-8,10,12H,11H2,1-3H3,(H,23,24)
InChIKeyUCVVSVJJSPDVJW-UHFFFAOYSA-N
XLogP4.29
TPSA66.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6,8-dimethyl-4-[(5-methylimidazo[1,2-a]pyridin-2-yl)methylamino]quinoline-3-carbonitrile?
The IUPAC name of 6,8-dimethyl-4-[(5-methylimidazo[1,2-a]pyridin-2-yl)methylamino]quinoline-3-carbonitrile (CID 133321621) is 6,8-dimethyl-4-[(5-methylimidazo[1,2-a]pyridin-2-yl)methylamino]quinoline-3-carbonitrile.
What is the SMILES notation for 6,8-dimethyl-4-[(5-methylimidazo[1,2-a]pyridin-2-yl)methylamino]quinoline-3-carbonitrile?
The canonical SMILES for 6,8-dimethyl-4-[(5-methylimidazo[1,2-a]pyridin-2-yl)methylamino]quinoline-3-carbonitrile is Cc1cc(C)c2ncc(C#N)c(NCc3cn4c(C)cccc4n3)c2c1.
What is the InChIKey of 6,8-dimethyl-4-[(5-methylimidazo[1,2-a]pyridin-2-yl)methylamino]quinoline-3-carbonitrile?
The InChIKey is UCVVSVJJSPDVJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5/c1-13-7-14(2)20-18(8-13)21(16(9-22)10-23-20)24-11-17-12-26-15(3)5-4-6-19(26)25-17/h4-8,10,12H,11H2,1-3H3,(H,23,24).
What are the key properties of 6,8-dimethyl-4-[(5-methylimidazo[1,2-a]pyridin-2-yl)methylamino]quinoline-3-carbonitrile?
6,8-dimethyl-4-[(5-methylimidazo[1,2-a]pyridin-2-yl)methylamino]quinoline-3-carbonitrile has a molecular weight of 341.42 g/mol, XLogP of 4.29, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dimethyl-4-[(5-methylimidazo[1,2-a]pyridin-2-yl)methylamino]quinoline-3-carbonitrile is sourced from PubChem (CID 133321621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).