2-methyl-4-[[(S)-(8-methylimidazo[1,2-a]pyridin-2-yl)methylsulfinyl]methyl]quinoline

C20H19N3OS — CID 97000353

IUPAC2-methyl-4-[[(S)-(8-methylimidazo[1,2-a]pyridin-2-yl)methylsulfinyl]methyl]quinoline
SMILESCc1cc(C[S@](=O)Cc2cn3cccc(C)c3n2)c2ccccc2n1
InChIInChI=1S/C20H19N3OS/c1-14-6-5-9-23-11-17(22-20(14)23)13-25(24)12-16-10-15(2)21-19-8-4-3-7-18(16)19/h3-11H,12-13H2,1-2H3/t25-/m0/s1
InChIKeyPZBUOFUHYIJCDP-VWLOTQADSA-N
MW349.46 g/mol
LogP3.95
Rot. Bonds4

About 2-methyl-4-[[(S)-(8-methylimidazo[1,2-a]pyridin-2-yl)methylsulfinyl]methyl]quinoline

2-methyl-4-[[(S)-(8-methylimidazo[1,2-a]pyridin-2-yl)methylsulfinyl]methyl]quinoline (PubChem CID 97000353) has the molecular formula C20H19N3OS and a molecular weight of 349.46 g/mol. Its IUPAC name is 2-methyl-4-[[(S)-(8-methylimidazo[1,2-a]pyridin-2-yl)methylsulfinyl]methyl]quinoline.

Molecular Properties

Compound Name2-methyl-4-[[(S)-(8-methylimidazo[1,2-a]pyridin-2-yl)methylsulfinyl]methyl]quinoline
PubChem CID97000353
Molecular FormulaC20H19N3OS
Molecular Weight349.46 g/mol
Exact Mass349.12
IUPAC Name2-methyl-4-[[(S)-(8-methylimidazo[1,2-a]pyridin-2-yl)methylsulfinyl]methyl]quinoline
SMILESCc1cc(C[S@](=O)Cc2cn3cccc(C)c3n2)c2ccccc2n1
InChIInChI=1S/C20H19N3OS/c1-14-6-5-9-23-11-17(22-20(14)23)13-25(24)12-16-10-15(2)21-19-8-4-3-7-18(16)19/h3-11H,12-13H2,1-2H3/t25-/m0/s1
InChIKeyPZBUOFUHYIJCDP-VWLOTQADSA-N
XLogP3.95
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[[(S)-(8-methylimidazo[1,2-a]pyridin-2-yl)methylsulfinyl]methyl]quinoline?
The IUPAC name of 2-methyl-4-[[(S)-(8-methylimidazo[1,2-a]pyridin-2-yl)methylsulfinyl]methyl]quinoline (CID 97000353) is 2-methyl-4-[[(S)-(8-methylimidazo[1,2-a]pyridin-2-yl)methylsulfinyl]methyl]quinoline.
What is the SMILES notation for 2-methyl-4-[[(S)-(8-methylimidazo[1,2-a]pyridin-2-yl)methylsulfinyl]methyl]quinoline?
The canonical SMILES for 2-methyl-4-[[(S)-(8-methylimidazo[1,2-a]pyridin-2-yl)methylsulfinyl]methyl]quinoline is Cc1cc(C[S@](=O)Cc2cn3cccc(C)c3n2)c2ccccc2n1.
What is the InChIKey of 2-methyl-4-[[(S)-(8-methylimidazo[1,2-a]pyridin-2-yl)methylsulfinyl]methyl]quinoline?
The InChIKey is PZBUOFUHYIJCDP-VWLOTQADSA-N. The full InChI is InChI=1S/C20H19N3OS/c1-14-6-5-9-23-11-17(22-20(14)23)13-25(24)12-16-10-15(2)21-19-8-4-3-7-18(16)19/h3-11H,12-13H2,1-2H3/t25-/m0/s1.
What are the key properties of 2-methyl-4-[[(S)-(8-methylimidazo[1,2-a]pyridin-2-yl)methylsulfinyl]methyl]quinoline?
2-methyl-4-[[(S)-(8-methylimidazo[1,2-a]pyridin-2-yl)methylsulfinyl]methyl]quinoline has a molecular weight of 349.46 g/mol, XLogP of 3.95, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[[(S)-(8-methylimidazo[1,2-a]pyridin-2-yl)methylsulfinyl]methyl]quinoline is sourced from PubChem (CID 97000353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).