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

C18H22N2O2 — CID 91782207

IUPAC1-(2-methoxyethyl)-4-[(2-methylquinolin-6-yl)methyl]pyrrolidin-2-one
SMILESCOCCN1CC(Cc2ccc3nc(C)ccc3c2)CC1=O
InChIInChI=1S/C18H22N2O2/c1-13-3-5-16-10-14(4-6-17(16)19-13)9-15-11-18(21)20(12-15)7-8-22-2/h3-6,10,15H,7-9,11-12H2,1-2H3
InChIKeyRMLYTSMNCNBOLJ-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.58
Rot. Bonds5

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

1-(2-methoxyethyl)-4-[(2-methylquinolin-6-yl)methyl]pyrrolidin-2-one (PubChem CID 91782207) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-4-[(2-methylquinolin-6-yl)methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-(2-methoxyethyl)-4-[(2-methylquinolin-6-yl)methyl]pyrrolidin-2-one
PubChem CID91782207
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name1-(2-methoxyethyl)-4-[(2-methylquinolin-6-yl)methyl]pyrrolidin-2-one
SMILESCOCCN1CC(Cc2ccc3nc(C)ccc3c2)CC1=O
InChIInChI=1S/C18H22N2O2/c1-13-3-5-16-10-14(4-6-17(16)19-13)9-15-11-18(21)20(12-15)7-8-22-2/h3-6,10,15H,7-9,11-12H2,1-2H3
InChIKeyRMLYTSMNCNBOLJ-UHFFFAOYSA-N
XLogP2.58
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methoxyethyl)-4-[(4-methylsulfanylphenyl)methyl]pyrrolidin-2-one
CID 91841931
4-[(3,5-dimethylphenyl)methyl]-1-(2-methoxyethyl)pyrrolidin-2-one
CID 91828980
6-[[1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]methyl]-2H-isoquinolin-1-one
CID 91831672
(4R)-4-[(2-cyclopropyl-1,3-benzoxazol-5-yl)methyl]-1-(2-methoxyethyl)pyrrolidin-2-one
CID 125168454
(4S)-4-[(3-acetylphenyl)methyl]-1-(2-methoxyethyl)pyrrolidin-2-one
CID 125177993
1-(2-methoxyethyl)-4-[(4-methyl-6-methylsulfanylquinolin-2-yl)methyl]pyrrolidin-2-one
CID 91841429
1-(2-methoxyethyl)-4-[(4-methylsulfonylphenyl)methyl]pyrrolidin-2-one
CID 91780549
(4S)-4-[[3-(hydroxymethyl)-7-methylquinolin-2-yl]methyl]-1-(2-methoxyethyl)pyrrolidin-2-one
CID 124757291
(4S)-4-[[3-(hydroxymethyl)quinolin-2-yl]methyl]-1-(2-methoxyethyl)pyrrolidin-2-one
CID 124758510
4-[(4,6-dimethoxypyrimidin-2-yl)methyl]-1-(2-methoxyethyl)pyrrolidin-2-one
CID 91831533
(4S)-1-(2-methoxyethyl)-4-[(4-methyl-2-pyridinyl)methyl]pyrrolidin-2-one
CID 124757294
1-(2-methoxyethyl)-4-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrrolidin-2-one
CID 91832320

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-4-[(2-methylquinolin-6-yl)methyl]pyrrolidin-2-one?
The IUPAC name of 1-(2-methoxyethyl)-4-[(2-methylquinolin-6-yl)methyl]pyrrolidin-2-one (CID 91782207) is 1-(2-methoxyethyl)-4-[(2-methylquinolin-6-yl)methyl]pyrrolidin-2-one.
What is the SMILES notation for 1-(2-methoxyethyl)-4-[(2-methylquinolin-6-yl)methyl]pyrrolidin-2-one?
The canonical SMILES for 1-(2-methoxyethyl)-4-[(2-methylquinolin-6-yl)methyl]pyrrolidin-2-one is COCCN1CC(Cc2ccc3nc(C)ccc3c2)CC1=O.
What is the InChIKey of 1-(2-methoxyethyl)-4-[(2-methylquinolin-6-yl)methyl]pyrrolidin-2-one?
The InChIKey is RMLYTSMNCNBOLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-13-3-5-16-10-14(4-6-17(16)19-13)9-15-11-18(21)20(12-15)7-8-22-2/h3-6,10,15H,7-9,11-12H2,1-2H3.
What are the key properties of 1-(2-methoxyethyl)-4-[(2-methylquinolin-6-yl)methyl]pyrrolidin-2-one?
1-(2-methoxyethyl)-4-[(2-methylquinolin-6-yl)methyl]pyrrolidin-2-one has a molecular weight of 298.39 g/mol, XLogP of 2.58, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-4-[(2-methylquinolin-6-yl)methyl]pyrrolidin-2-one is sourced from PubChem (CID 91782207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).