(4S)-4-[[3-(hydroxymethyl)quinolin-2-yl]methyl]-1-(2-methoxyethyl)pyrrolidin-2-one

C18H22N2O3 — CID 124758510

IUPAC(4S)-4-[[3-(hydroxymethyl)quinolin-2-yl]methyl]-1-(2-methoxyethyl)pyrrolidin-2-one
SMILESCOCCN1C[C@@H](Cc2nc3ccccc3cc2CO)CC1=O
InChIInChI=1S/C18H22N2O3/c1-23-7-6-20-11-13(9-18(20)22)8-17-15(12-21)10-14-4-2-3-5-16(14)19-17/h2-5,10,13,21H,6-9,11-12H2,1H3/t13-/m0/s1
InChIKeyYYRCPONVBMDMKY-ZDUSSCGKSA-N
MW314.38 g/mol
LogP1.76
Rot. Bonds6

About (4S)-4-[[3-(hydroxymethyl)quinolin-2-yl]methyl]-1-(2-methoxyethyl)pyrrolidin-2-one

(4S)-4-[[3-(hydroxymethyl)quinolin-2-yl]methyl]-1-(2-methoxyethyl)pyrrolidin-2-one (PubChem CID 124758510) has the molecular formula C18H22N2O3 and a molecular weight of 314.38 g/mol. Its IUPAC name is (4S)-4-[[3-(hydroxymethyl)quinolin-2-yl]methyl]-1-(2-methoxyethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(4S)-4-[[3-(hydroxymethyl)quinolin-2-yl]methyl]-1-(2-methoxyethyl)pyrrolidin-2-one
PubChem CID124758510
Molecular FormulaC18H22N2O3
Molecular Weight314.38 g/mol
Exact Mass314.16
IUPAC Name(4S)-4-[[3-(hydroxymethyl)quinolin-2-yl]methyl]-1-(2-methoxyethyl)pyrrolidin-2-one
SMILESCOCCN1C[C@@H](Cc2nc3ccccc3cc2CO)CC1=O
InChIInChI=1S/C18H22N2O3/c1-23-7-6-20-11-13(9-18(20)22)8-17-15(12-21)10-14-4-2-3-5-16(14)19-17/h2-5,10,13,21H,6-9,11-12H2,1H3/t13-/m0/s1
InChIKeyYYRCPONVBMDMKY-ZDUSSCGKSA-N
XLogP1.76
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4S)-4-[[3-(hydroxymethyl)-7-methylquinolin-2-yl]methyl]-1-(2-methoxyethyl)pyrrolidin-2-one
CID 124757291
1-(2-methoxyethyl)-4-[(2-methylquinolin-6-yl)methyl]pyrrolidin-2-one
CID 91782207
(4R)-4-[(5-ethyl-2-methylpyrimidin-4-yl)methyl]-1-(2-methoxyethyl)pyrrolidin-2-one
CID 124757873
4-[(4,6-dimethoxypyrimidin-2-yl)methyl]-1-(2-methoxyethyl)pyrrolidin-2-one
CID 91831533
2-[[1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]methyl]benzonitrile
CID 91768193
2-[[(3S)-1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]methyl]-5,6-dimethylpyridine-3-carboxamide
CID 124846696
2-[[1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]methyl]-N-methylpyridine-3-carboxamide
CID 91828677
(4S)-4-[(3-acetylphenyl)methyl]-1-(2-methoxyethyl)pyrrolidin-2-one
CID 125177993
4-[(3,5-dimethylphenyl)methyl]-1-(2-methoxyethyl)pyrrolidin-2-one
CID 91828980
(4R)-4-[[1,3-benzoxazol-2-ylmethyl(methyl)amino]methyl]-1-(2-methoxyethyl)pyrrolidin-2-one
CID 125157401
1-(2-methoxyethyl)-4-[(8-methoxy-4-methylquinolin-2-yl)methyl]pyrrolidin-2-one
CID 91829477
(4S)-1-(2-methoxyethyl)-4-[(4-methyl-2-pyridinyl)methyl]pyrrolidin-2-one
CID 124757294

Frequently Asked Questions

What is the IUPAC name of (4S)-4-[[3-(hydroxymethyl)quinolin-2-yl]methyl]-1-(2-methoxyethyl)pyrrolidin-2-one?
The IUPAC name of (4S)-4-[[3-(hydroxymethyl)quinolin-2-yl]methyl]-1-(2-methoxyethyl)pyrrolidin-2-one (CID 124758510) is (4S)-4-[[3-(hydroxymethyl)quinolin-2-yl]methyl]-1-(2-methoxyethyl)pyrrolidin-2-one.
What is the SMILES notation for (4S)-4-[[3-(hydroxymethyl)quinolin-2-yl]methyl]-1-(2-methoxyethyl)pyrrolidin-2-one?
The canonical SMILES for (4S)-4-[[3-(hydroxymethyl)quinolin-2-yl]methyl]-1-(2-methoxyethyl)pyrrolidin-2-one is COCCN1C[C@@H](Cc2nc3ccccc3cc2CO)CC1=O.
What is the InChIKey of (4S)-4-[[3-(hydroxymethyl)quinolin-2-yl]methyl]-1-(2-methoxyethyl)pyrrolidin-2-one?
The InChIKey is YYRCPONVBMDMKY-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-23-7-6-20-11-13(9-18(20)22)8-17-15(12-21)10-14-4-2-3-5-16(14)19-17/h2-5,10,13,21H,6-9,11-12H2,1H3/t13-/m0/s1.
What are the key properties of (4S)-4-[[3-(hydroxymethyl)quinolin-2-yl]methyl]-1-(2-methoxyethyl)pyrrolidin-2-one?
(4S)-4-[[3-(hydroxymethyl)quinolin-2-yl]methyl]-1-(2-methoxyethyl)pyrrolidin-2-one has a molecular weight of 314.38 g/mol, XLogP of 1.76, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[[3-(hydroxymethyl)quinolin-2-yl]methyl]-1-(2-methoxyethyl)pyrrolidin-2-one is sourced from PubChem (CID 124758510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).