1-hydroxy-3-propyl-3,4-dihydroquinolin-2-one

C12H15NO2 — CID 119085152

IUPAC1-hydroxy-3-propyl-3,4-dihydroquinolin-2-one
SMILESCCCC1Cc2ccccc2N(O)C1=O
InChIInChI=1S/C12H15NO2/c1-2-5-10-8-9-6-3-4-7-11(9)13(15)12(10)14/h3-4,6-7,10,15H,2,5,8H2,1H3
InChIKeyGRYYEOOEVXBIIT-UHFFFAOYSA-N
MW205.26 g/mol
LogP2.38
Rot. Bonds2

About 1-hydroxy-3-propyl-3,4-dihydroquinolin-2-one

1-hydroxy-3-propyl-3,4-dihydroquinolin-2-one (PubChem CID 119085152) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is 1-hydroxy-3-propyl-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name1-hydroxy-3-propyl-3,4-dihydroquinolin-2-one
PubChem CID119085152
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name1-hydroxy-3-propyl-3,4-dihydroquinolin-2-one
SMILESCCCC1Cc2ccccc2N(O)C1=O
InChIInChI=1S/C12H15NO2/c1-2-5-10-8-9-6-3-4-7-11(9)13(15)12(10)14/h3-4,6-7,10,15H,2,5,8H2,1H3
InChIKeyGRYYEOOEVXBIIT-UHFFFAOYSA-N
XLogP2.38
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}

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Related Compounds

1-phenyl-3-propyl-3,4-dihydroquinolin-2-one
CID 69356082
3-chloro-1-hydroxy-3,4-dihydroquinolin-2-one
CID 13220468
3-ethyl-1-phenyl-3,4-dihydroquinolin-2-one
CID 69356546
3-(aminomethyl)-1-methyl-3,4-dihydroquinolin-2-one
CID 54772600
2-propyl-3,4-dihydro-2H-naphthalen-1-one
CID 10877906
3-butyl-1-hydroxypyrrolidine-2,5-dione
CID 59622423
(3R)-3-amino-1-methyl-3,4-dihydroquinolin-2-one;hydrochloride
CID 69196199
1-butanoyl-3,4-dihydro-2H-quinoline-3-carboxylic acid
CID 106902190
1-propyl-2,3-dihydroindole-2-carboxylic acid
CID 80566723
1-(1-propyl-2,3-dihydroindol-2-yl)ethanone
CID 115106307
1-propyl-2,3-dihydroindole-2-carbaldehyde
CID 102567896
(2R)-1-propyl-2,3-dihydroindole-2-carbaldehyde
CID 99982020

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-3-propyl-3,4-dihydroquinolin-2-one?
The IUPAC name of 1-hydroxy-3-propyl-3,4-dihydroquinolin-2-one (CID 119085152) is 1-hydroxy-3-propyl-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 1-hydroxy-3-propyl-3,4-dihydroquinolin-2-one?
The canonical SMILES for 1-hydroxy-3-propyl-3,4-dihydroquinolin-2-one is CCCC1Cc2ccccc2N(O)C1=O.
What is the InChIKey of 1-hydroxy-3-propyl-3,4-dihydroquinolin-2-one?
The InChIKey is GRYYEOOEVXBIIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-2-5-10-8-9-6-3-4-7-11(9)13(15)12(10)14/h3-4,6-7,10,15H,2,5,8H2,1H3.
What are the key properties of 1-hydroxy-3-propyl-3,4-dihydroquinolin-2-one?
1-hydroxy-3-propyl-3,4-dihydroquinolin-2-one has a molecular weight of 205.26 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-3-propyl-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 119085152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).