1-[2-[(4S)-4-hydroxy-3,3,4-trimethylpiperidin-1-yl]-2-oxoethyl]-4-methylquinolin-2-one

C20H26N2O3 — CID 70784295

IUPAC1-[2-[(4S)-4-hydroxy-3,3,4-trimethylpiperidin-1-yl]-2-oxoethyl]-4-methylquinolin-2-one
SMILESCc1cc(=O)n(CC(=O)N2CC[C@](C)(O)C(C)(C)C2)c2ccccc12
InChIInChI=1S/C20H26N2O3/c1-14-11-17(23)22(16-8-6-5-7-15(14)16)12-18(24)21-10-9-20(4,25)19(2,3)13-21/h5-8,11,25H,9-10,12-13H2,1-4H3/t20-/m0/s1
InChIKeyUQMNNTNRTIHPAW-FQEVSTJZSA-N
MW342.44 g/mol
LogP2.32
Rot. Bonds2

About 1-[2-[(4S)-4-hydroxy-3,3,4-trimethylpiperidin-1-yl]-2-oxoethyl]-4-methylquinolin-2-one

1-[2-[(4S)-4-hydroxy-3,3,4-trimethylpiperidin-1-yl]-2-oxoethyl]-4-methylquinolin-2-one (PubChem CID 70784295) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is 1-[2-[(4S)-4-hydroxy-3,3,4-trimethylpiperidin-1-yl]-2-oxoethyl]-4-methylquinolin-2-one.

Molecular Properties

Compound Name1-[2-[(4S)-4-hydroxy-3,3,4-trimethylpiperidin-1-yl]-2-oxoethyl]-4-methylquinolin-2-one
PubChem CID70784295
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC Name1-[2-[(4S)-4-hydroxy-3,3,4-trimethylpiperidin-1-yl]-2-oxoethyl]-4-methylquinolin-2-one
SMILESCc1cc(=O)n(CC(=O)N2CC[C@](C)(O)C(C)(C)C2)c2ccccc12
InChIInChI=1S/C20H26N2O3/c1-14-11-17(23)22(16-8-6-5-7-15(14)16)12-18(24)21-10-9-20(4,25)19(2,3)13-21/h5-8,11,25H,9-10,12-13H2,1-4H3/t20-/m0/s1
InChIKeyUQMNNTNRTIHPAW-FQEVSTJZSA-N
XLogP2.32
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[2-[(4S)-4-hydroxy-3,3,4-trimethylpiperidin-1-yl]-2-oxoethyl]-4-methylquinolin-2-one with MolForge

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Related Compounds

4-methyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)quinolin-2-one
CID 39768041
4-methyl-1-[2-[(1S,5R)-6-methyl-7-oxo-3,6-diazabicyclo[3.2.2]nonan-3-yl]-2-oxoethyl]quinolin-2-one
CID 70728751
methyl 2-(4-methyl-2-oxoquinolin-1-yl)acetate
CID 39767914
4-methyl-1-(3-oxobutyl)quinolin-2-one
CID 919960
(5S)-7-methyl-2-[2-(2-methyl-4-oxoquinolin-1-yl)acetyl]-2,7-diazaspiro[4.5]decan-6-one
CID 97146209
4-hydroxy-1-[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]piperidine-4-carboxylic acid
CID 119250768
N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(4-methyl-2-oxoquinolin-1-yl)acetamide
CID 46980764
(5R)-3-methyl-9-[2-(2-methyl-4-oxoquinolin-1-yl)acetyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 97280518
1-[2-[(4S)-4-hydroxy-3,3,4-trimethylpiperidin-1-yl]-2-oxoethyl]piperidin-2-one
CID 72869531
10-[2-[(3aR,6aS)-3a,6a-dimethyl-2,3,4,6-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-2-oxoethyl]acridin-9-one
CID 154866339
N-(5-chloro-2-methylphenyl)-2-(4-methyl-2-oxoquinolin-1-yl)acetamide
CID 39767924
5,6-dimethyl-2-[2-(3-methyl-3-phenylpiperidin-1-yl)-2-oxoethyl]pyridazin-3-one
CID 72920662

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(4S)-4-hydroxy-3,3,4-trimethylpiperidin-1-yl]-2-oxoethyl]-4-methylquinolin-2-one?
The IUPAC name of 1-[2-[(4S)-4-hydroxy-3,3,4-trimethylpiperidin-1-yl]-2-oxoethyl]-4-methylquinolin-2-one (CID 70784295) is 1-[2-[(4S)-4-hydroxy-3,3,4-trimethylpiperidin-1-yl]-2-oxoethyl]-4-methylquinolin-2-one.
What is the SMILES notation for 1-[2-[(4S)-4-hydroxy-3,3,4-trimethylpiperidin-1-yl]-2-oxoethyl]-4-methylquinolin-2-one?
The canonical SMILES for 1-[2-[(4S)-4-hydroxy-3,3,4-trimethylpiperidin-1-yl]-2-oxoethyl]-4-methylquinolin-2-one is Cc1cc(=O)n(CC(=O)N2CC[C@](C)(O)C(C)(C)C2)c2ccccc12.
What is the InChIKey of 1-[2-[(4S)-4-hydroxy-3,3,4-trimethylpiperidin-1-yl]-2-oxoethyl]-4-methylquinolin-2-one?
The InChIKey is UQMNNTNRTIHPAW-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H26N2O3/c1-14-11-17(23)22(16-8-6-5-7-15(14)16)12-18(24)21-10-9-20(4,25)19(2,3)13-21/h5-8,11,25H,9-10,12-13H2,1-4H3/t20-/m0/s1.
What are the key properties of 1-[2-[(4S)-4-hydroxy-3,3,4-trimethylpiperidin-1-yl]-2-oxoethyl]-4-methylquinolin-2-one?
1-[2-[(4S)-4-hydroxy-3,3,4-trimethylpiperidin-1-yl]-2-oxoethyl]-4-methylquinolin-2-one has a molecular weight of 342.44 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(4S)-4-hydroxy-3,3,4-trimethylpiperidin-1-yl]-2-oxoethyl]-4-methylquinolin-2-one is sourced from PubChem (CID 70784295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).