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

C12H11F2NO2 — CID 162419365

IUPAC7-(1,1-difluoroprop-2-enoxy)-3,4-dihydro-1H-quinolin-2-one
SMILESC=CC(F)(F)Oc1ccc2c(c1)NC(=O)CC2
InChIInChI=1S/C12H11F2NO2/c1-2-12(13,14)17-9-5-3-8-4-6-11(16)15-10(8)7-9/h2-3,5,7H,1,4,6H2,(H,15,16)
InChIKeyMUYFFXWJQXNSKJ-UHFFFAOYSA-N
MW239.22 g/mol
LogP2.73
Rot. Bonds3

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

7-(1,1-difluoroprop-2-enoxy)-3,4-dihydro-1H-quinolin-2-one (PubChem CID 162419365) has the molecular formula C12H11F2NO2 and a molecular weight of 239.22 g/mol. Its IUPAC name is 7-(1,1-difluoroprop-2-enoxy)-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name7-(1,1-difluoroprop-2-enoxy)-3,4-dihydro-1H-quinolin-2-one
PubChem CID162419365
Molecular FormulaC12H11F2NO2
Molecular Weight239.22 g/mol
Exact Mass239.08
IUPAC Name7-(1,1-difluoroprop-2-enoxy)-3,4-dihydro-1H-quinolin-2-one
SMILESC=CC(F)(F)Oc1ccc2c(c1)NC(=O)CC2
InChIInChI=1S/C12H11F2NO2/c1-2-12(13,14)17-9-5-3-8-4-6-11(16)15-10(8)7-9/h2-3,5,7H,1,4,6H2,(H,15,16)
InChIKeyMUYFFXWJQXNSKJ-UHFFFAOYSA-N
XLogP2.73
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.22
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 7-(1,1-difluoroprop-2-enoxy)-3,4-dihydro-1H-quinolin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-Hydroxy-3,4-dihydrocarbostyril
CID 2785758
7-[4-(4-phenylpiperazin-1-yl)butoxy]-3,4-dihydro-1H-quinolin-2-one
CID 12899503
Tetra-hydro-isoquinoline derivative 3
CID 137653313
Tetra-hydro-isoquinoline derivative 2
CID 46829772
Tetra-hydro-isoquinoline derivative 4
CID 137652717
7-[4-[4-(2-Fluorophenyl)-1-piperazinyl]butoxy]-3,4-dihydro-2(1H)-quinolinone
CID 10715828
1-[(4-Fluorophenyl)methyl]-7-[3-(4-methylpiperidin-1-yl)propoxy]-3,4-dihydroquinolin-2-one
CID 86299850
7-[6-(4-benzylpiperidin-1-yl)hexoxy]-3,4-dihydro-1H-quinolin-2-one
CID 20438759
7-(3-piperidin-1-ylpropoxy)-3,4-dihydro-1H-quinolin-2-one
CID 23454034
7-(Benzyloxy)-3,4-dihydrocarbostyril
CID 44362531
(3S)-3-amino-1-hydroxy-7-methoxy-3,4-dihydroquinolin-2-one
CID 53254526
7-[4-[4-(3-ethoxyphenyl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one
CID 66559778

Frequently Asked Questions

What is the IUPAC name of 7-(1,1-difluoroprop-2-enoxy)-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 7-(1,1-difluoroprop-2-enoxy)-3,4-dihydro-1H-quinolin-2-one (CID 162419365) is 7-(1,1-difluoroprop-2-enoxy)-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 7-(1,1-difluoroprop-2-enoxy)-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 7-(1,1-difluoroprop-2-enoxy)-3,4-dihydro-1H-quinolin-2-one is C=CC(F)(F)Oc1ccc2c(c1)NC(=O)CC2.
What is the InChIKey of 7-(1,1-difluoroprop-2-enoxy)-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is MUYFFXWJQXNSKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F2NO2/c1-2-12(13,14)17-9-5-3-8-4-6-11(16)15-10(8)7-9/h2-3,5,7H,1,4,6H2,(H,15,16).
What are the key properties of 7-(1,1-difluoroprop-2-enoxy)-3,4-dihydro-1H-quinolin-2-one?
7-(1,1-difluoroprop-2-enoxy)-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 239.22 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1,1-difluoroprop-2-enoxy)-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 162419365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).