7-(4-chlorobut-2-enoxy)-3,4-dihydro-1H-quinolin-2-one

C13H14ClNO2 — CID 66885925

IUPAC7-(4-chlorobut-2-enoxy)-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2ccc(OCC=CCCl)cc2N1
InChIInChI=1S/C13H14ClNO2/c14-7-1-2-8-17-11-5-3-10-4-6-13(16)15-12(10)9-11/h1-3,5,9H,4,6-8H2,(H,15,16)
InChIKeyVAJRTFWMLCSHPX-UHFFFAOYSA-N
MW251.71 g/mol
LogP2.75
Rot. Bonds4

About 7-(4-chlorobut-2-enoxy)-3,4-dihydro-1H-quinolin-2-one

7-(4-chlorobut-2-enoxy)-3,4-dihydro-1H-quinolin-2-one (PubChem CID 66885925) has the molecular formula C13H14ClNO2 and a molecular weight of 251.71 g/mol. Its IUPAC name is 7-(4-chlorobut-2-enoxy)-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name7-(4-chlorobut-2-enoxy)-3,4-dihydro-1H-quinolin-2-one
PubChem CID66885925
Molecular FormulaC13H14ClNO2
Molecular Weight251.71 g/mol
Exact Mass251.07
IUPAC Name7-(4-chlorobut-2-enoxy)-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2ccc(OCC=CCCl)cc2N1
InChIInChI=1S/C13H14ClNO2/c14-7-1-2-8-17-11-5-3-10-4-6-13(16)15-12(10)9-11/h1-3,5,9H,4,6-8H2,(H,15,16)
InChIKeyVAJRTFWMLCSHPX-UHFFFAOYSA-N
XLogP2.75
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.71
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

7-[(E)-4-(7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl)but-2-enoxy]-3,4-dihydro-1H-quinolin-2-one
CID 139384353
4-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]butanal
CID 56851120
7-(4-methoxybutoxy)-3,4-dihydro-1H-quinolin-2-one
CID 114940015
7-(2-oxopropoxy)-3,4-dihydro-1H-quinolin-2-one
CID 112704281
7-(cyclopropylmethoxymethoxy)-3,4-dihydro-1H-quinolin-2-one
CID 106931226
7-(2-pyridin-4-ylethoxy)-3,4-dihydro-1H-quinolin-2-one
CID 114940079
methyl (Z)-2-ethyl-4-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]but-2-enoate
CID 114939880
7-(2-ethylsulfonylethoxy)-3,4-dihydro-1H-quinolin-2-one
CID 114940190
7-[(4-ethylphenyl)methoxy]-3,4-dihydro-1H-quinolin-2-one
CID 114940161
7-(2,2-diethoxyethoxy)-3,4-dihydro-1H-quinolin-2-one
CID 114939923
7-(3-bromo-2-hydroxypropoxy)-3,4-dihydro-1H-quinolin-2-one
CID 114939907
7-[(5-bromo-3-pyridinyl)methoxy]-3,4-dihydro-1H-quinolin-2-one
CID 114940207

Frequently Asked Questions

What is the IUPAC name of 7-(4-chlorobut-2-enoxy)-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 7-(4-chlorobut-2-enoxy)-3,4-dihydro-1H-quinolin-2-one (CID 66885925) is 7-(4-chlorobut-2-enoxy)-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 7-(4-chlorobut-2-enoxy)-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 7-(4-chlorobut-2-enoxy)-3,4-dihydro-1H-quinolin-2-one is O=C1CCc2ccc(OCC=CCCl)cc2N1.
What is the InChIKey of 7-(4-chlorobut-2-enoxy)-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is VAJRTFWMLCSHPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClNO2/c14-7-1-2-8-17-11-5-3-10-4-6-13(16)15-12(10)9-11/h1-3,5,9H,4,6-8H2,(H,15,16).
What are the key properties of 7-(4-chlorobut-2-enoxy)-3,4-dihydro-1H-quinolin-2-one?
7-(4-chlorobut-2-enoxy)-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 251.71 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-chlorobut-2-enoxy)-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 66885925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).