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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfanyl]benzimidazol-1-yl]methanol
CID 14877893
2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfanyl]-3H-benzimidazol-5-ol
CID 57346352
[3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfanyl]phenyl]methanamine
CID 66353268
5-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfanyl]-1H-pyrrolo[3,2-b]pyridine
CID 171137918
2-[(5-bromo-2-methoxyphenyl)methylsulfanyl]quinoline
CID 69237606
2-(3-bromo-2-methyl-3-phenylpropyl)-4-methoxy-3,5-dimethylpyridine
CID 104846487
2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfanyl]-6-(trideuteriomethoxy)-1H-benzimidazole
CID 45040155
(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl-naphthalen-2-ylcarbamic acid
CID 138557708
2-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]quinoline
CID 112781074
1-(2-fluorophenyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanol
CID 63085403
2-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-4-methoxy-3,5-dimethylpyridine
CID 56790290
[1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-3-phenylpropan-2-yl]hydrazine
CID 105195369

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).