4-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]butanal

C13H15NO3 — CID 56851120

IUPAC4-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]butanal
SMILESO=CCCCOc1ccc2c(c1)NC(=O)CC2
InChIInChI=1S/C13H15NO3/c15-7-1-2-8-17-11-5-3-10-4-6-13(16)14-12(10)9-11/h3,5,7,9H,1-2,4,6,8H2,(H,14,16)
InChIKeyUEXWWBPDALYPLF-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.93
Rot. Bonds5

About 4-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]butanal

4-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]butanal (PubChem CID 56851120) has the molecular formula C13H15NO3 and a molecular weight of 233.27 g/mol. Its IUPAC name is 4-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]butanal.

Molecular Properties

Compound Name4-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]butanal
PubChem CID56851120
Molecular FormulaC13H15NO3
Molecular Weight233.27 g/mol
Exact Mass233.11
IUPAC Name4-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]butanal
SMILESO=CCCCOc1ccc2c(c1)NC(=O)CC2
InChIInChI=1S/C13H15NO3/c15-7-1-2-8-17-11-5-3-10-4-6-13(16)14-12(10)9-11/h3,5,7,9H,1-2,4,6,8H2,(H,14,16)
InChIKeyUEXWWBPDALYPLF-UHFFFAOYSA-N
XLogP1.93
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

7-(4-methoxybutoxy)-3,4-dihydro-1H-quinolin-2-one
CID 114940015
7-(2-ethylsulfonylethoxy)-3,4-dihydro-1H-quinolin-2-one
CID 114940190
7-(2-pyridin-4-ylethoxy)-3,4-dihydro-1H-quinolin-2-one
CID 114940079
7-(2,2-diethoxyethoxy)-3,4-dihydro-1H-quinolin-2-one
CID 114939923
7-[2-(2-oxo-1-pyridinyl)ethoxy]-3,4-dihydro-1H-quinolin-2-one
CID 114940102
7-(4-chlorobut-2-enoxy)-3,4-dihydro-1H-quinolin-2-one
CID 66885925
7-(2-oxopropoxy)-3,4-dihydro-1H-quinolin-2-one
CID 112704281
7-(3-bromo-2-hydroxypropoxy)-3,4-dihydro-1H-quinolin-2-one
CID 114939907
7-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propoxy]-3,4-dihydro-1H-quinolin-2-one
CID 46829776
hydrazinyl 3-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]propanoate
CID 114939971
N,N-dibenzyl-11-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]undecanamide
CID 166437382
7-[(4-ethylphenyl)methoxy]-3,4-dihydro-1H-quinolin-2-one
CID 114940161

Frequently Asked Questions

What is the IUPAC name of 4-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]butanal?
The IUPAC name of 4-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]butanal (CID 56851120) is 4-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]butanal.
What is the SMILES notation for 4-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]butanal?
The canonical SMILES for 4-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]butanal is O=CCCCOc1ccc2c(c1)NC(=O)CC2.
What is the InChIKey of 4-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]butanal?
The InChIKey is UEXWWBPDALYPLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3/c15-7-1-2-8-17-11-5-3-10-4-6-13(16)14-12(10)9-11/h3,5,7,9H,1-2,4,6,8H2,(H,14,16).
What are the key properties of 4-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]butanal?
4-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]butanal has a molecular weight of 233.27 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]butanal is sourced from PubChem (CID 56851120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).