3-butyl-3,4-dihydro-1H-quinolin-2-one

C13H17NO — CID 12715425

IUPAC3-butyl-3,4-dihydro-1H-quinolin-2-one
SMILESCCCCC1Cc2ccccc2NC1=O
InChIInChI=1S/C13H17NO/c1-2-3-6-11-9-10-7-4-5-8-12(10)14-13(11)15/h4-5,7-8,11H,2-3,6,9H2,1H3,(H,14,15)
InChIKeyHZSOLQCNODYIOF-UHFFFAOYSA-N
MW203.28 g/mol
LogP2.99
Rot. Bonds3

About 3-butyl-3,4-dihydro-1H-quinolin-2-one

3-butyl-3,4-dihydro-1H-quinolin-2-one (PubChem CID 12715425) has the molecular formula C13H17NO and a molecular weight of 203.28 g/mol. Its IUPAC name is 3-butyl-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name3-butyl-3,4-dihydro-1H-quinolin-2-one
PubChem CID12715425
Molecular FormulaC13H17NO
Molecular Weight203.28 g/mol
Exact Mass203.13
IUPAC Name3-butyl-3,4-dihydro-1H-quinolin-2-one
SMILESCCCCC1Cc2ccccc2NC1=O
InChIInChI=1S/C13H17NO/c1-2-3-6-11-9-10-7-4-5-8-12(10)14-13(11)15/h4-5,7-8,11H,2-3,6,9H2,1H3,(H,14,15)
InChIKeyHZSOLQCNODYIOF-UHFFFAOYSA-N
XLogP2.99
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3S)-3-ethyl-3,4-dihydro-1H-quinolin-2-one
CID 70087119
3-(2-oxopropyl)-3,4-dihydro-1H-quinolin-2-one
CID 145472008
N-[(2S)-3-methylbutan-2-yl]-3-[(3R)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanamide
CID 30211328
3-amino-3,4-dihydro-1H-quinolin-2-one;hydroiodide
CID 17234022
3-[(3S)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]-N-(4-propylphenyl)propanamide
CID 31306923
3-[3-(4-ethoxypiperidin-1-yl)-3-oxopropyl]-3,4-dihydro-1H-quinolin-2-one
CID 56817723
N-[3-(methylamino)propyl]-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide;hydrochloride
CID 119430985
N-(3-hydroxypropyl)-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide
CID 78854593
N-(2-amino-2-ethylbutyl)-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide
CID 119641050
2-methyl-2-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoylamino]butanoic acid
CID 119199666
3,4-dimethyl-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 12622089
N-(2-hydroxy-2-methylpropyl)-N-methyl-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide
CID 111543322

Frequently Asked Questions

What is the IUPAC name of 3-butyl-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 3-butyl-3,4-dihydro-1H-quinolin-2-one (CID 12715425) is 3-butyl-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 3-butyl-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 3-butyl-3,4-dihydro-1H-quinolin-2-one is CCCCC1Cc2ccccc2NC1=O.
What is the InChIKey of 3-butyl-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is HZSOLQCNODYIOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO/c1-2-3-6-11-9-10-7-4-5-8-12(10)14-13(11)15/h4-5,7-8,11H,2-3,6,9H2,1H3,(H,14,15).
What are the key properties of 3-butyl-3,4-dihydro-1H-quinolin-2-one?
3-butyl-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 203.28 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 12715425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).