(4S)-4-[[3-(hydroxymethyl)-7-methylquinolin-2-yl]methyl]-1-(2-methoxyethyl)pyrrolidin-2-one

C19H24N2O3 — CID 124757291

IUPAC(4S)-4-[[3-(hydroxymethyl)-7-methylquinolin-2-yl]methyl]-1-(2-methoxyethyl)pyrrolidin-2-one
SMILESCOCCN1C[C@@H](Cc2nc3cc(C)ccc3cc2CO)CC1=O
InChIInChI=1S/C19H24N2O3/c1-13-3-4-15-10-16(12-22)18(20-17(15)7-13)8-14-9-19(23)21(11-14)5-6-24-2/h3-4,7,10,14,22H,5-6,8-9,11-12H2,1-2H3/t14-/m0/s1
InChIKeyWBCXOEYAUQZSFI-AWEZNQCLSA-N
MW328.41 g/mol
LogP2.07
Rot. Bonds6

About (4S)-4-[[3-(hydroxymethyl)-7-methylquinolin-2-yl]methyl]-1-(2-methoxyethyl)pyrrolidin-2-one

(4S)-4-[[3-(hydroxymethyl)-7-methylquinolin-2-yl]methyl]-1-(2-methoxyethyl)pyrrolidin-2-one (PubChem CID 124757291) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is (4S)-4-[[3-(hydroxymethyl)-7-methylquinolin-2-yl]methyl]-1-(2-methoxyethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(4S)-4-[[3-(hydroxymethyl)-7-methylquinolin-2-yl]methyl]-1-(2-methoxyethyl)pyrrolidin-2-one
PubChem CID124757291
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Name(4S)-4-[[3-(hydroxymethyl)-7-methylquinolin-2-yl]methyl]-1-(2-methoxyethyl)pyrrolidin-2-one
SMILESCOCCN1C[C@@H](Cc2nc3cc(C)ccc3cc2CO)CC1=O
InChIInChI=1S/C19H24N2O3/c1-13-3-4-15-10-16(12-22)18(20-17(15)7-13)8-14-9-19(23)21(11-14)5-6-24-2/h3-4,7,10,14,22H,5-6,8-9,11-12H2,1-2H3/t14-/m0/s1
InChIKeyWBCXOEYAUQZSFI-AWEZNQCLSA-N
XLogP2.07
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4S)-4-[[3-(hydroxymethyl)quinolin-2-yl]methyl]-1-(2-methoxyethyl)pyrrolidin-2-one
CID 124758510
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
(4S)-1-(2-methoxyethyl)-4-[(4-methyl-2-pyridinyl)methyl]pyrrolidin-2-one
CID 124757294
4-[(3,5-dimethylphenyl)methyl]-1-(2-methoxyethyl)pyrrolidin-2-one
CID 91828980
2-[[(3S)-1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]methyl]-5,6-dimethylpyridine-3-carboxamide
CID 124846696
4-[(4,6-dimethoxypyrimidin-2-yl)methyl]-1-(2-methoxyethyl)pyrrolidin-2-one
CID 91831533
(4R)-4-[(7-fluoro-4-methylquinolin-2-yl)methyl]-1-(2-methoxyethyl)pyrrolidin-2-one
CID 124750402
1-(2-methoxyethyl)-4-[(8-methoxy-4-methylquinolin-2-yl)methyl]pyrrolidin-2-one
CID 91829477
1-(2-methoxyethyl)-4-[(4-methyl-6-methylsulfanylquinolin-2-yl)methyl]pyrrolidin-2-one
CID 91841429
(4S)-1-(2-methoxyethyl)-4-[(1-methylpyrrolo[2,3-b]pyridin-4-yl)methyl]pyrrolidin-2-one
CID 124843968
(4R)-4-[(2-cyclopropyl-1,3-benzoxazol-5-yl)methyl]-1-(2-methoxyethyl)pyrrolidin-2-one
CID 125168454

Frequently Asked Questions

What is the IUPAC name of (4S)-4-[[3-(hydroxymethyl)-7-methylquinolin-2-yl]methyl]-1-(2-methoxyethyl)pyrrolidin-2-one?
The IUPAC name of (4S)-4-[[3-(hydroxymethyl)-7-methylquinolin-2-yl]methyl]-1-(2-methoxyethyl)pyrrolidin-2-one (CID 124757291) is (4S)-4-[[3-(hydroxymethyl)-7-methylquinolin-2-yl]methyl]-1-(2-methoxyethyl)pyrrolidin-2-one.
What is the SMILES notation for (4S)-4-[[3-(hydroxymethyl)-7-methylquinolin-2-yl]methyl]-1-(2-methoxyethyl)pyrrolidin-2-one?
The canonical SMILES for (4S)-4-[[3-(hydroxymethyl)-7-methylquinolin-2-yl]methyl]-1-(2-methoxyethyl)pyrrolidin-2-one is COCCN1C[C@@H](Cc2nc3cc(C)ccc3cc2CO)CC1=O.
What is the InChIKey of (4S)-4-[[3-(hydroxymethyl)-7-methylquinolin-2-yl]methyl]-1-(2-methoxyethyl)pyrrolidin-2-one?
The InChIKey is WBCXOEYAUQZSFI-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-13-3-4-15-10-16(12-22)18(20-17(15)7-13)8-14-9-19(23)21(11-14)5-6-24-2/h3-4,7,10,14,22H,5-6,8-9,11-12H2,1-2H3/t14-/m0/s1.
What are the key properties of (4S)-4-[[3-(hydroxymethyl)-7-methylquinolin-2-yl]methyl]-1-(2-methoxyethyl)pyrrolidin-2-one?
(4S)-4-[[3-(hydroxymethyl)-7-methylquinolin-2-yl]methyl]-1-(2-methoxyethyl)pyrrolidin-2-one has a molecular weight of 328.41 g/mol, XLogP of 2.07, 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)-7-methylquinolin-2-yl]methyl]-1-(2-methoxyethyl)pyrrolidin-2-one is sourced from PubChem (CID 124757291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).