1-propanoyl-2,3-dihydroquinolin-4-one

C12H13NO2 — CID 14501442

IUPAC1-propanoyl-2,3-dihydroquinolin-4-one
SMILESCCC(=O)N1CCC(=O)c2ccccc21
InChIInChI=1S/C12H13NO2/c1-2-12(15)13-8-7-11(14)9-5-3-4-6-10(9)13/h3-6H,2,7-8H2,1H3
InChIKeyUTPHMONIFDWUQI-UHFFFAOYSA-N
MW203.24 g/mol
LogP2.02
Rot. Bonds1

About 1-propanoyl-2,3-dihydroquinolin-4-one

1-propanoyl-2,3-dihydroquinolin-4-one (PubChem CID 14501442) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is 1-propanoyl-2,3-dihydroquinolin-4-one.

Molecular Properties

Compound Name1-propanoyl-2,3-dihydroquinolin-4-one
PubChem CID14501442
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Name1-propanoyl-2,3-dihydroquinolin-4-one
SMILESCCC(=O)N1CCC(=O)c2ccccc21
InChIInChI=1S/C12H13NO2/c1-2-12(15)13-8-7-11(14)9-5-3-4-6-10(9)13/h3-6H,2,7-8H2,1H3
InChIKeyUTPHMONIFDWUQI-UHFFFAOYSA-N
XLogP2.02
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-tetradecanoyl-2,3-dihydroquinolin-4-one
CID 57163991
1,5-di(propanoyl)-2,3-dihydro-1,5-benzodiazepin-4-one
CID 4048075
1-[2-(4-methoxyphenyl)acetyl]-2,3-dihydroquinolin-4-one
CID 110424740
1-[3-(2-fluorophenyl)propanoyl]-2,3-dihydroquinolin-4-one
CID 110612527
1-(3-ethylthiophene-2-carbonyl)-2,3-dihydroquinolin-4-one
CID 79975950
1-(3-methylsulfanylpropanoyl)-3,4-dihydro-2H-1-benzazepin-5-one
CID 114336610
N-ethyl-1-propanoyl-2,3-dihydroindole-4-carboxamide
CID 53159918
methyl 2-[(4-oxo-1-propanoyl-2,3-dihydroquinolin-6-yl)oxy]acetate
CID 21294790
1-[4-(4-fluorophenyl)butanoyl]-2,3-dihydroquinolin-4-one
CID 110612549
1-(3-cyclopropyl-3-phenylpropanoyl)-2,3-dihydroquinolin-4-one
CID 110618352
1-(2-methyl-3-phenylpropanoyl)-2,3-dihydroquinolin-4-one
CID 110612558
1-(2-cyclopentylacetyl)-3,4-dihydro-2H-1-benzazepin-5-one
CID 114336606

Frequently Asked Questions

What is the IUPAC name of 1-propanoyl-2,3-dihydroquinolin-4-one?
The IUPAC name of 1-propanoyl-2,3-dihydroquinolin-4-one (CID 14501442) is 1-propanoyl-2,3-dihydroquinolin-4-one.
What is the SMILES notation for 1-propanoyl-2,3-dihydroquinolin-4-one?
The canonical SMILES for 1-propanoyl-2,3-dihydroquinolin-4-one is CCC(=O)N1CCC(=O)c2ccccc21.
What is the InChIKey of 1-propanoyl-2,3-dihydroquinolin-4-one?
The InChIKey is UTPHMONIFDWUQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2/c1-2-12(15)13-8-7-11(14)9-5-3-4-6-10(9)13/h3-6H,2,7-8H2,1H3.
What are the key properties of 1-propanoyl-2,3-dihydroquinolin-4-one?
1-propanoyl-2,3-dihydroquinolin-4-one has a molecular weight of 203.24 g/mol, XLogP of 2.02, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propanoyl-2,3-dihydroquinolin-4-one is sourced from PubChem (CID 14501442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).