1-(2-methoxyethyl)-4-[(4-methyl-6-methylsulfanylquinolin-2-yl)methyl]pyrrolidin-2-one

C19H24N2O2S — CID 91841429

IUPAC1-(2-methoxyethyl)-4-[(4-methyl-6-methylsulfanylquinolin-2-yl)methyl]pyrrolidin-2-one
SMILESCOCCN1CC(Cc2cc(C)c3cc(SC)ccc3n2)CC1=O
InChIInChI=1S/C19H24N2O2S/c1-13-8-15(20-18-5-4-16(24-3)11-17(13)18)9-14-10-19(22)21(12-14)6-7-23-2/h4-5,8,11,14H,6-7,9-10,12H2,1-3H3
InChIKeyREUWQXGABHTBQB-UHFFFAOYSA-N
MW344.48 g/mol
LogP3.30
Rot. Bonds6

About 1-(2-methoxyethyl)-4-[(4-methyl-6-methylsulfanylquinolin-2-yl)methyl]pyrrolidin-2-one

1-(2-methoxyethyl)-4-[(4-methyl-6-methylsulfanylquinolin-2-yl)methyl]pyrrolidin-2-one (PubChem CID 91841429) has the molecular formula C19H24N2O2S and a molecular weight of 344.48 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-4-[(4-methyl-6-methylsulfanylquinolin-2-yl)methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-(2-methoxyethyl)-4-[(4-methyl-6-methylsulfanylquinolin-2-yl)methyl]pyrrolidin-2-one
PubChem CID91841429
Molecular FormulaC19H24N2O2S
Molecular Weight344.48 g/mol
Exact Mass344.16
IUPAC Name1-(2-methoxyethyl)-4-[(4-methyl-6-methylsulfanylquinolin-2-yl)methyl]pyrrolidin-2-one
SMILESCOCCN1CC(Cc2cc(C)c3cc(SC)ccc3n2)CC1=O
InChIInChI=1S/C19H24N2O2S/c1-13-8-15(20-18-5-4-16(24-3)11-17(13)18)9-14-10-19(22)21(12-14)6-7-23-2/h4-5,8,11,14H,6-7,9-10,12H2,1-3H3
InChIKeyREUWQXGABHTBQB-UHFFFAOYSA-N
XLogP3.30
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-4-[(4-methyl-6-methylsulfanylquinolin-2-yl)methyl]pyrrolidin-2-one?
The IUPAC name of 1-(2-methoxyethyl)-4-[(4-methyl-6-methylsulfanylquinolin-2-yl)methyl]pyrrolidin-2-one (CID 91841429) is 1-(2-methoxyethyl)-4-[(4-methyl-6-methylsulfanylquinolin-2-yl)methyl]pyrrolidin-2-one.
What is the SMILES notation for 1-(2-methoxyethyl)-4-[(4-methyl-6-methylsulfanylquinolin-2-yl)methyl]pyrrolidin-2-one?
The canonical SMILES for 1-(2-methoxyethyl)-4-[(4-methyl-6-methylsulfanylquinolin-2-yl)methyl]pyrrolidin-2-one is COCCN1CC(Cc2cc(C)c3cc(SC)ccc3n2)CC1=O.
What is the InChIKey of 1-(2-methoxyethyl)-4-[(4-methyl-6-methylsulfanylquinolin-2-yl)methyl]pyrrolidin-2-one?
The InChIKey is REUWQXGABHTBQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2S/c1-13-8-15(20-18-5-4-16(24-3)11-17(13)18)9-14-10-19(22)21(12-14)6-7-23-2/h4-5,8,11,14H,6-7,9-10,12H2,1-3H3.
What are the key properties of 1-(2-methoxyethyl)-4-[(4-methyl-6-methylsulfanylquinolin-2-yl)methyl]pyrrolidin-2-one?
1-(2-methoxyethyl)-4-[(4-methyl-6-methylsulfanylquinolin-2-yl)methyl]pyrrolidin-2-one has a molecular weight of 344.48 g/mol, XLogP of 3.30, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-4-[(4-methyl-6-methylsulfanylquinolin-2-yl)methyl]pyrrolidin-2-one is sourced from PubChem (CID 91841429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).