2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfanyl]quinoline

C18H18N2OS — CID 22394159

IUPAC2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfanyl]quinoline
SMILESCOc1c(C)cnc(CSc2ccc3ccccc3n2)c1C
InChIInChI=1S/C18H18N2OS/c1-12-10-19-16(13(2)18(12)21-3)11-22-17-9-8-14-6-4-5-7-15(14)20-17/h4-10H,11H2,1-3H3
InChIKeyGURGHUOYMPDYIK-UHFFFAOYSA-N
MW310.42 g/mol
LogP4.55
Rot. Bonds4

About 2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfanyl]quinoline

2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfanyl]quinoline (PubChem CID 22394159) has the molecular formula C18H18N2OS and a molecular weight of 310.42 g/mol. Its IUPAC name is 2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfanyl]quinoline.

Molecular Properties

Compound Name2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfanyl]quinoline
PubChem CID22394159
Molecular FormulaC18H18N2OS
Molecular Weight310.42 g/mol
Exact Mass310.11
IUPAC Name2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfanyl]quinoline
SMILESCOc1c(C)cnc(CSc2ccc3ccccc3n2)c1C
InChIInChI=1S/C18H18N2OS/c1-12-10-19-16(13(2)18(12)21-3)11-22-17-9-8-14-6-4-5-7-15(14)20-17/h4-10H,11H2,1-3H3
InChIKeyGURGHUOYMPDYIK-UHFFFAOYSA-N
XLogP4.55
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfanyl]quinoline?
The IUPAC name of 2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfanyl]quinoline (CID 22394159) is 2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfanyl]quinoline.
What is the SMILES notation for 2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfanyl]quinoline?
The canonical SMILES for 2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfanyl]quinoline is COc1c(C)cnc(CSc2ccc3ccccc3n2)c1C.
What is the InChIKey of 2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfanyl]quinoline?
The InChIKey is GURGHUOYMPDYIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2OS/c1-12-10-19-16(13(2)18(12)21-3)11-22-17-9-8-14-6-4-5-7-15(14)20-17/h4-10H,11H2,1-3H3.
What are the key properties of 2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfanyl]quinoline?
2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfanyl]quinoline has a molecular weight of 310.42 g/mol, XLogP of 4.55, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfanyl]quinoline is sourced from PubChem (CID 22394159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).