1-[2-oxo-2-[(2R)-2-propanoylpiperidin-1-yl]ethyl]quinolin-4-one

C19H22N2O3 — CID 97330448

IUPAC1-[2-oxo-2-[(2R)-2-propanoylpiperidin-1-yl]ethyl]quinolin-4-one
SMILESCCC(=O)[C@H]1CCCCN1C(=O)Cn1ccc(=O)c2ccccc21
InChIInChI=1S/C19H22N2O3/c1-2-17(22)16-9-5-6-11-21(16)19(24)13-20-12-10-18(23)14-7-3-4-8-15(14)20/h3-4,7-8,10,12,16H,2,5-6,9,11,13H2,1H3/t16-/m1/s1
InChIKeyUHAVQCTXUZFZJY-MRXNPFEDSA-N
MW326.40 g/mol
LogP2.36
Rot. Bonds4

About 1-[2-oxo-2-[(2R)-2-propanoylpiperidin-1-yl]ethyl]quinolin-4-one

1-[2-oxo-2-[(2R)-2-propanoylpiperidin-1-yl]ethyl]quinolin-4-one (PubChem CID 97330448) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is 1-[2-oxo-2-[(2R)-2-propanoylpiperidin-1-yl]ethyl]quinolin-4-one.

Molecular Properties

Compound Name1-[2-oxo-2-[(2R)-2-propanoylpiperidin-1-yl]ethyl]quinolin-4-one
PubChem CID97330448
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Name1-[2-oxo-2-[(2R)-2-propanoylpiperidin-1-yl]ethyl]quinolin-4-one
SMILESCCC(=O)[C@H]1CCCCN1C(=O)Cn1ccc(=O)c2ccccc21
InChIInChI=1S/C19H22N2O3/c1-2-17(22)16-9-5-6-11-21(16)19(24)13-20-12-10-18(23)14-7-3-4-8-15(14)20/h3-4,7-8,10,12,16H,2,5-6,9,11,13H2,1H3/t16-/m1/s1
InChIKeyUHAVQCTXUZFZJY-MRXNPFEDSA-N
XLogP2.36
TPSA59.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-oxoethyl]quinolin-4-one;hydrochloride
CID 119650725
1-[2-oxo-2-[(2R)-2-propyl-1,3-thiazolidin-3-yl]ethyl]quinolin-4-one
CID 95772998
1-[2-[(2S)-2,4-dimethylpiperazin-1-yl]-2-oxoethyl]quinolin-4-one
CID 97093863
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-[(3R)-3-aminopiperidin-1-yl]-2-oxoethyl]quinolin-4-one
CID 124622920
2-[2-(4-oxoquinolin-1-yl)acetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
CID 119195867
1-[2-[3-(4-fluorophenyl)pyrrolidin-1-yl]-2-oxoethyl]quinolin-4-one
CID 91767931
ethyl 3-oxo-4-(4-oxoquinolin-1-yl)butanoate
CID 63899087
1-(3,3-dimethyl-2-oxobutyl)quinolin-4-one
CID 62024225
4-[(3R)-1-[2-(4-oxoquinolin-1-yl)acetyl]piperidin-3-yl]benzoic acid
CID 97194322
3-methyl-1-[2-(4-oxoquinolin-1-yl)acetyl]azetidine-3-carboxamide
CID 138002600
1-[2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-oxoethyl]quinolin-4-one
CID 120879614

Frequently Asked Questions

What is the IUPAC name of 1-[2-oxo-2-[(2R)-2-propanoylpiperidin-1-yl]ethyl]quinolin-4-one?
The IUPAC name of 1-[2-oxo-2-[(2R)-2-propanoylpiperidin-1-yl]ethyl]quinolin-4-one (CID 97330448) is 1-[2-oxo-2-[(2R)-2-propanoylpiperidin-1-yl]ethyl]quinolin-4-one.
What is the SMILES notation for 1-[2-oxo-2-[(2R)-2-propanoylpiperidin-1-yl]ethyl]quinolin-4-one?
The canonical SMILES for 1-[2-oxo-2-[(2R)-2-propanoylpiperidin-1-yl]ethyl]quinolin-4-one is CCC(=O)[C@H]1CCCCN1C(=O)Cn1ccc(=O)c2ccccc21.
What is the InChIKey of 1-[2-oxo-2-[(2R)-2-propanoylpiperidin-1-yl]ethyl]quinolin-4-one?
The InChIKey is UHAVQCTXUZFZJY-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-2-17(22)16-9-5-6-11-21(16)19(24)13-20-12-10-18(23)14-7-3-4-8-15(14)20/h3-4,7-8,10,12,16H,2,5-6,9,11,13H2,1H3/t16-/m1/s1.
What are the key properties of 1-[2-oxo-2-[(2R)-2-propanoylpiperidin-1-yl]ethyl]quinolin-4-one?
1-[2-oxo-2-[(2R)-2-propanoylpiperidin-1-yl]ethyl]quinolin-4-one has a molecular weight of 326.40 g/mol, XLogP of 2.36, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-oxo-2-[(2R)-2-propanoylpiperidin-1-yl]ethyl]quinolin-4-one is sourced from PubChem (CID 97330448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).