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

C21H21NO2 — CID 110618352

IUPAC1-(3-cyclopropyl-3-phenylpropanoyl)-2,3-dihydroquinolin-4-one
SMILESO=C1CCN(C(=O)CC(c2ccccc2)C2CC2)c2ccccc21
InChIInChI=1S/C21H21NO2/c23-20-12-13-22(19-9-5-4-8-17(19)20)21(24)14-18(16-10-11-16)15-6-2-1-3-7-15/h1-9,16,18H,10-14H2
InChIKeyFVYJNJGALBCQCS-UHFFFAOYSA-N
MW319.40 g/mol
LogP4.19
Rot. Bonds4

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

1-(3-cyclopropyl-3-phenylpropanoyl)-2,3-dihydroquinolin-4-one (PubChem CID 110618352) has the molecular formula C21H21NO2 and a molecular weight of 319.40 g/mol. Its IUPAC name is 1-(3-cyclopropyl-3-phenylpropanoyl)-2,3-dihydroquinolin-4-one.

Molecular Properties

Compound Name1-(3-cyclopropyl-3-phenylpropanoyl)-2,3-dihydroquinolin-4-one
PubChem CID110618352
Molecular FormulaC21H21NO2
Molecular Weight319.40 g/mol
Exact Mass319.16
IUPAC Name1-(3-cyclopropyl-3-phenylpropanoyl)-2,3-dihydroquinolin-4-one
SMILESO=C1CCN(C(=O)CC(c2ccccc2)C2CC2)c2ccccc21
InChIInChI=1S/C21H21NO2/c23-20-12-13-22(19-9-5-4-8-17(19)20)21(24)14-18(16-10-11-16)15-6-2-1-3-7-15/h1-9,16,18H,10-14H2
InChIKeyFVYJNJGALBCQCS-UHFFFAOYSA-N
XLogP4.19
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-cyclopropyl-3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanoyl]-2,3-dihydroquinolin-4-one
CID 110618354
1-propanoyl-2,3-dihydroquinolin-4-one
CID 14501442
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
1-tetradecanoyl-2,3-dihydroquinolin-4-one
CID 57163991
1-[3-(2-fluorophenyl)propanoyl]-2,3-dihydroquinolin-4-one
CID 110612527
1-[2-(4-methoxyphenyl)acetyl]-2,3-dihydroquinolin-4-one
CID 110424740
3-cyclopropyl-1-(7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-yl)-3-phenylpropan-1-one
CID 110616125
5-(6,7-dihydrobenzo[d][1]benzazepin-5-yl)-3-(hydroxymethyl)-5-oxopentanoic acid
CID 166300808
1-[4-(4-fluorophenyl)butanoyl]-2,3-dihydroquinolin-4-one
CID 110612549
3-hydroxy-4-(4-oxo-2,3-dihydroquinolin-1-yl)butanoic acid
CID 82770508
ethyl (3S)-3-cyclohexyl-3-phenylpropanoate
CID 125468052

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclopropyl-3-phenylpropanoyl)-2,3-dihydroquinolin-4-one?
The IUPAC name of 1-(3-cyclopropyl-3-phenylpropanoyl)-2,3-dihydroquinolin-4-one (CID 110618352) is 1-(3-cyclopropyl-3-phenylpropanoyl)-2,3-dihydroquinolin-4-one.
What is the SMILES notation for 1-(3-cyclopropyl-3-phenylpropanoyl)-2,3-dihydroquinolin-4-one?
The canonical SMILES for 1-(3-cyclopropyl-3-phenylpropanoyl)-2,3-dihydroquinolin-4-one is O=C1CCN(C(=O)CC(c2ccccc2)C2CC2)c2ccccc21.
What is the InChIKey of 1-(3-cyclopropyl-3-phenylpropanoyl)-2,3-dihydroquinolin-4-one?
The InChIKey is FVYJNJGALBCQCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO2/c23-20-12-13-22(19-9-5-4-8-17(19)20)21(24)14-18(16-10-11-16)15-6-2-1-3-7-15/h1-9,16,18H,10-14H2.
What are the key properties of 1-(3-cyclopropyl-3-phenylpropanoyl)-2,3-dihydroquinolin-4-one?
1-(3-cyclopropyl-3-phenylpropanoyl)-2,3-dihydroquinolin-4-one has a molecular weight of 319.40 g/mol, XLogP of 4.19, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclopropyl-3-phenylpropanoyl)-2,3-dihydroquinolin-4-one is sourced from PubChem (CID 110618352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).