1-[2-[(2S)-2,4-dimethylpiperazin-1-yl]-2-oxoethyl]quinolin-4-one

C17H21N3O2 — CID 97093863

IUPAC1-[2-[(2S)-2,4-dimethylpiperazin-1-yl]-2-oxoethyl]quinolin-4-one
SMILESC[C@H]1CN(C)CCN1C(=O)Cn1ccc(=O)c2ccccc21
InChIInChI=1S/C17H21N3O2/c1-13-11-18(2)9-10-20(13)17(22)12-19-8-7-16(21)14-5-3-4-6-15(14)19/h3-8,13H,9-12H2,1-2H3/t13-/m0/s1
InChIKeyGYXCXZGEQFDGAJ-ZDUSSCGKSA-N
MW299.37 g/mol
LogP1.16
Rot. Bonds2

About 1-[2-[(2S)-2,4-dimethylpiperazin-1-yl]-2-oxoethyl]quinolin-4-one

1-[2-[(2S)-2,4-dimethylpiperazin-1-yl]-2-oxoethyl]quinolin-4-one (PubChem CID 97093863) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is 1-[2-[(2S)-2,4-dimethylpiperazin-1-yl]-2-oxoethyl]quinolin-4-one.

Molecular Properties

Compound Name1-[2-[(2S)-2,4-dimethylpiperazin-1-yl]-2-oxoethyl]quinolin-4-one
PubChem CID97093863
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name1-[2-[(2S)-2,4-dimethylpiperazin-1-yl]-2-oxoethyl]quinolin-4-one
SMILESC[C@H]1CN(C)CCN1C(=O)Cn1ccc(=O)c2ccccc21
InChIInChI=1S/C17H21N3O2/c1-13-11-18(2)9-10-20(13)17(22)12-19-8-7-16(21)14-5-3-4-6-15(14)19/h3-8,13H,9-12H2,1-2H3/t13-/m0/s1
InChIKeyGYXCXZGEQFDGAJ-ZDUSSCGKSA-N
XLogP1.16
TPSA45.55 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-oxo-2-[(2R)-2-propanoylpiperidin-1-yl]ethyl]quinolin-4-one
CID 97330448
1-[2-[(3R)-3-aminopiperidin-1-yl]-2-oxoethyl]quinolin-4-one
CID 124622920
1-[2-oxo-2-[(2R)-2-propyl-1,3-thiazolidin-3-yl]ethyl]quinolin-4-one
CID 95772998
1-[2-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-oxoethyl]quinolin-4-one;hydrochloride
CID 119650725
1-(3,3-dimethyl-2-oxobutyl)quinolin-4-one
CID 62024225
1-[2-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-2-oxoethyl]quinolin-4-one
CID 95588154
1-[2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-oxoethyl]quinolin-4-one
CID 120879614
2-[2-(4-oxoquinolin-1-yl)acetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
CID 119195867
1-[2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-oxoethyl]quinolin-4-one;hydrochloride
CID 120879613
3-methyl-1-[2-(4-oxoquinolin-1-yl)acetyl]azetidine-3-carboxamide
CID 138002600
1-[2-[3-(2-fluorophenoxy)azetidin-1-yl]-2-oxoethyl]quinolin-4-one
CID 90651811
1-[2-[3-(4-fluorophenyl)pyrrolidin-1-yl]-2-oxoethyl]quinolin-4-one
CID 91767931

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2S)-2,4-dimethylpiperazin-1-yl]-2-oxoethyl]quinolin-4-one?
The IUPAC name of 1-[2-[(2S)-2,4-dimethylpiperazin-1-yl]-2-oxoethyl]quinolin-4-one (CID 97093863) is 1-[2-[(2S)-2,4-dimethylpiperazin-1-yl]-2-oxoethyl]quinolin-4-one.
What is the SMILES notation for 1-[2-[(2S)-2,4-dimethylpiperazin-1-yl]-2-oxoethyl]quinolin-4-one?
The canonical SMILES for 1-[2-[(2S)-2,4-dimethylpiperazin-1-yl]-2-oxoethyl]quinolin-4-one is C[C@H]1CN(C)CCN1C(=O)Cn1ccc(=O)c2ccccc21.
What is the InChIKey of 1-[2-[(2S)-2,4-dimethylpiperazin-1-yl]-2-oxoethyl]quinolin-4-one?
The InChIKey is GYXCXZGEQFDGAJ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-13-11-18(2)9-10-20(13)17(22)12-19-8-7-16(21)14-5-3-4-6-15(14)19/h3-8,13H,9-12H2,1-2H3/t13-/m0/s1.
What are the key properties of 1-[2-[(2S)-2,4-dimethylpiperazin-1-yl]-2-oxoethyl]quinolin-4-one?
1-[2-[(2S)-2,4-dimethylpiperazin-1-yl]-2-oxoethyl]quinolin-4-one has a molecular weight of 299.37 g/mol, XLogP of 1.16, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2S)-2,4-dimethylpiperazin-1-yl]-2-oxoethyl]quinolin-4-one is sourced from PubChem (CID 97093863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).