1-(2-methyl-3-phenylpropanoyl)-2,3-dihydroquinolin-4-one

C19H19NO2 — CID 110612558

IUPAC1-(2-methyl-3-phenylpropanoyl)-2,3-dihydroquinolin-4-one
SMILESCC(Cc1ccccc1)C(=O)N1CCC(=O)c2ccccc21
InChIInChI=1S/C19H19NO2/c1-14(13-15-7-3-2-4-8-15)19(22)20-12-11-18(21)16-9-5-6-10-17(16)20/h2-10,14H,11-13H2,1H3
InChIKeyXQLLKZYPPIGLLQ-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.48
Rot. Bonds3

About 1-(2-methyl-3-phenylpropanoyl)-2,3-dihydroquinolin-4-one

1-(2-methyl-3-phenylpropanoyl)-2,3-dihydroquinolin-4-one (PubChem CID 110612558) has the molecular formula C19H19NO2 and a molecular weight of 293.37 g/mol. Its IUPAC name is 1-(2-methyl-3-phenylpropanoyl)-2,3-dihydroquinolin-4-one.

Molecular Properties

Compound Name1-(2-methyl-3-phenylpropanoyl)-2,3-dihydroquinolin-4-one
PubChem CID110612558
Molecular FormulaC19H19NO2
Molecular Weight293.37 g/mol
Exact Mass293.14
IUPAC Name1-(2-methyl-3-phenylpropanoyl)-2,3-dihydroquinolin-4-one
SMILESCC(Cc1ccccc1)C(=O)N1CCC(=O)c2ccccc21
InChIInChI=1S/C19H19NO2/c1-14(13-15-7-3-2-4-8-15)19(22)20-12-11-18(21)16-9-5-6-10-17(16)20/h2-10,14H,11-13H2,1H3
InChIKeyXQLLKZYPPIGLLQ-UHFFFAOYSA-N
XLogP3.48
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-methylpropanoyl)-3,4-dihydro-2H-1-benzazepin-5-one
CID 114336498
1-propanoyl-2,3-dihydroquinolin-4-one
CID 14501442
1-[4-[2-(dimethylamino)ethyl]-2,3-dihydroquinoxalin-1-yl]-2-methyl-3-phenylpropan-1-one
CID 110355200
2-methyl-1-(5-morpholin-4-yl-2,3-dihydroindol-1-yl)-3-phenylpropan-1-one
CID 110355070
5,5-dimethyl-3-[(2S)-2-methyl-3-phenylpropanoyl]-1,3-oxazolidin-2-one
CID 100950638
1-(3-cyclopropyl-3-phenylpropanoyl)-2,3-dihydroquinolin-4-one
CID 110618352
1-[2-(4-methoxyphenyl)acetyl]-2,3-dihydroquinolin-4-one
CID 110424740
3-(5-oxo-3,4-dihydro-2H-1-benzazepin-1-yl)butanoic acid
CID 114337393
1-tetradecanoyl-2,3-dihydroquinolin-4-one
CID 57163991
6-methyl-1-(3-phenylpropanoyl)-2,3-dihydroquinolin-4-one
CID 110634848
(2R)-1-(2,3-dihydroindol-1-yl)-2-phenylpropan-1-one
CID 134943813
ethane;2-methyl-3-phenylpropanoic acid
CID 90856303

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-3-phenylpropanoyl)-2,3-dihydroquinolin-4-one?
The IUPAC name of 1-(2-methyl-3-phenylpropanoyl)-2,3-dihydroquinolin-4-one (CID 110612558) is 1-(2-methyl-3-phenylpropanoyl)-2,3-dihydroquinolin-4-one.
What is the SMILES notation for 1-(2-methyl-3-phenylpropanoyl)-2,3-dihydroquinolin-4-one?
The canonical SMILES for 1-(2-methyl-3-phenylpropanoyl)-2,3-dihydroquinolin-4-one is CC(Cc1ccccc1)C(=O)N1CCC(=O)c2ccccc21.
What is the InChIKey of 1-(2-methyl-3-phenylpropanoyl)-2,3-dihydroquinolin-4-one?
The InChIKey is XQLLKZYPPIGLLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO2/c1-14(13-15-7-3-2-4-8-15)19(22)20-12-11-18(21)16-9-5-6-10-17(16)20/h2-10,14H,11-13H2,1H3.
What are the key properties of 1-(2-methyl-3-phenylpropanoyl)-2,3-dihydroquinolin-4-one?
1-(2-methyl-3-phenylpropanoyl)-2,3-dihydroquinolin-4-one has a molecular weight of 293.37 g/mol, XLogP of 3.48, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-3-phenylpropanoyl)-2,3-dihydroquinolin-4-one is sourced from PubChem (CID 110612558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).