1-(3-oxopentan-2-yl)-3,4-dihydroquinolin-2-one

C14H17NO2 — CID 64865861

IUPAC1-(3-oxopentan-2-yl)-3,4-dihydroquinolin-2-one
SMILESCCC(=O)C(C)N1C(=O)CCc2ccccc21
InChIInChI=1S/C14H17NO2/c1-3-13(16)10(2)15-12-7-5-4-6-11(12)8-9-14(15)17/h4-7,10H,3,8-9H2,1-2H3
InChIKeyUPOJGZVLGQYWCL-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.33
Rot. Bonds3

About 1-(3-oxopentan-2-yl)-3,4-dihydroquinolin-2-one

1-(3-oxopentan-2-yl)-3,4-dihydroquinolin-2-one (PubChem CID 64865861) has the molecular formula C14H17NO2 and a molecular weight of 231.30 g/mol. Its IUPAC name is 1-(3-oxopentan-2-yl)-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name1-(3-oxopentan-2-yl)-3,4-dihydroquinolin-2-one
PubChem CID64865861
Molecular FormulaC14H17NO2
Molecular Weight231.30 g/mol
Exact Mass231.13
IUPAC Name1-(3-oxopentan-2-yl)-3,4-dihydroquinolin-2-one
SMILESCCC(=O)C(C)N1C(=O)CCc2ccccc21
InChIInChI=1S/C14H17NO2/c1-3-13(16)10(2)15-12-7-5-4-6-11(12)8-9-14(15)17/h4-7,10H,3,8-9H2,1-2H3
InChIKeyUPOJGZVLGQYWCL-UHFFFAOYSA-N
XLogP2.33
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,3-dihydroindol-1-yl)pentan-3-one
CID 64868632
2-(3-oxopentan-2-yl)-4H-isoquinoline-1,3-dione
CID 64866505
(2R)-2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propanoic acid
CID 8548710
1-[1-(azepan-1-yl)-1-oxopropan-2-yl]-4,5-dihydro-3H-1-benzazepin-2-one
CID 46276085
1-[(2S)-2-hydroxypropyl]-3,4-dihydroquinolin-2-one
CID 103935304
(2S)-N-cyclopentyl-2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)propanamide
CID 92886787
1-ethyl-3,4-dihydroquinolin-2-one
CID 14580225
1-[1-(azepan-1-yl)-1-oxobutan-2-yl]-4,5-dihydro-3H-1-benzazepin-2-one
CID 46276095
1-(1-oxo-1-piperidin-1-ylbutan-2-yl)-4,5-dihydro-3H-1-benzazepin-2-one
CID 50758044
1-propan-2-yl-4,5-dihydro-3H-1-benzazepin-2-one;1-propan-2-yl-3H-indol-2-one
CID 176690662
(2S)-N-[3-(cyclopropylamino)-3-oxopropyl]-2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)propanamide
CID 100831171
1-(1-aminopentan-3-yl)-4,5-dihydro-3H-1-benzazepin-2-one
CID 43329359

Frequently Asked Questions

What is the IUPAC name of 1-(3-oxopentan-2-yl)-3,4-dihydroquinolin-2-one?
The IUPAC name of 1-(3-oxopentan-2-yl)-3,4-dihydroquinolin-2-one (CID 64865861) is 1-(3-oxopentan-2-yl)-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 1-(3-oxopentan-2-yl)-3,4-dihydroquinolin-2-one?
The canonical SMILES for 1-(3-oxopentan-2-yl)-3,4-dihydroquinolin-2-one is CCC(=O)C(C)N1C(=O)CCc2ccccc21.
What is the InChIKey of 1-(3-oxopentan-2-yl)-3,4-dihydroquinolin-2-one?
The InChIKey is UPOJGZVLGQYWCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c1-3-13(16)10(2)15-12-7-5-4-6-11(12)8-9-14(15)17/h4-7,10H,3,8-9H2,1-2H3.
What are the key properties of 1-(3-oxopentan-2-yl)-3,4-dihydroquinolin-2-one?
1-(3-oxopentan-2-yl)-3,4-dihydroquinolin-2-one has a molecular weight of 231.30 g/mol, XLogP of 2.33, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-oxopentan-2-yl)-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 64865861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).