7-amino-6-(2,4-difluorophenoxy)-3,4-dihydro-1H-quinolin-2-one

C15H12F2N2O2 — CID 43449941

IUPAC7-amino-6-(2,4-difluorophenoxy)-3,4-dihydro-1H-quinolin-2-one
SMILESNc1cc2c(cc1Oc1ccc(F)cc1F)CCC(=O)N2
InChIInChI=1S/C15H12F2N2O2/c16-9-2-3-13(10(17)6-9)21-14-5-8-1-4-15(20)19-12(8)7-11(14)18/h2-3,5-7H,1,4,18H2,(H,19,20)
InChIKeyVLZFIUFTYXEYKM-UHFFFAOYSA-N
MW290.27 g/mol
LogP3.22
Rot. Bonds2

About 7-amino-6-(2,4-difluorophenoxy)-3,4-dihydro-1H-quinolin-2-one

7-amino-6-(2,4-difluorophenoxy)-3,4-dihydro-1H-quinolin-2-one (PubChem CID 43449941) has the molecular formula C15H12F2N2O2 and a molecular weight of 290.27 g/mol. Its IUPAC name is 7-amino-6-(2,4-difluorophenoxy)-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name7-amino-6-(2,4-difluorophenoxy)-3,4-dihydro-1H-quinolin-2-one
PubChem CID43449941
Molecular FormulaC15H12F2N2O2
Molecular Weight290.27 g/mol
Exact Mass290.09
IUPAC Name7-amino-6-(2,4-difluorophenoxy)-3,4-dihydro-1H-quinolin-2-one
SMILESNc1cc2c(cc1Oc1ccc(F)cc1F)CCC(=O)N2
InChIInChI=1S/C15H12F2N2O2/c16-9-2-3-13(10(17)6-9)21-14-5-8-1-4-15(20)19-12(8)7-11(14)18/h2-3,5-7H,1,4,18H2,(H,19,20)
InChIKeyVLZFIUFTYXEYKM-UHFFFAOYSA-N
XLogP3.22
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.27
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-amino-7-(2,4-difluorophenoxy)-3,4-dihydro-1H-quinolin-2-one
CID 43455648
7-amino-6-(3-fluorophenoxy)-3,4-dihydro-1H-quinolin-2-one
CID 43449965
7-amino-6-(4-chlorophenoxy)-3,4-dihydro-1H-quinolin-2-one
CID 43449952
6-amino-7-(2-fluoro-3-methylphenoxy)-3,4-dihydro-1H-quinolin-2-one
CID 107655515
6-amino-7-(2,4-difluorophenyl)sulfanyl-3,4-dihydro-1H-quinolin-2-one
CID 43455745
7-amino-6-(4-methylsulfanylphenoxy)-3,4-dihydro-1H-quinolin-2-one
CID 63649473
6-(4-amino-2-fluorophenoxy)-3,4-dihydro-1H-quinolin-2-one
CID 28972700
7-amino-6-[(2-fluorophenyl)methoxy]-3,4-dihydro-1H-quinolin-2-one
CID 63933837
6-amino-7-(4-chlorophenoxy)-3,4-dihydro-1H-quinolin-2-one
CID 43455658
6-amino-7-(4-methylphenoxy)-3,4-dihydro-1H-quinolin-2-one
CID 43455675
6-amino-7-(4-methylsulfanylphenoxy)-3,4-dihydro-1H-quinolin-2-one
CID 63649793
3-[(7-amino-2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]benzonitrile
CID 43449983

Frequently Asked Questions

What is the IUPAC name of 7-amino-6-(2,4-difluorophenoxy)-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 7-amino-6-(2,4-difluorophenoxy)-3,4-dihydro-1H-quinolin-2-one (CID 43449941) is 7-amino-6-(2,4-difluorophenoxy)-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 7-amino-6-(2,4-difluorophenoxy)-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 7-amino-6-(2,4-difluorophenoxy)-3,4-dihydro-1H-quinolin-2-one is Nc1cc2c(cc1Oc1ccc(F)cc1F)CCC(=O)N2.
What is the InChIKey of 7-amino-6-(2,4-difluorophenoxy)-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is VLZFIUFTYXEYKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2N2O2/c16-9-2-3-13(10(17)6-9)21-14-5-8-1-4-15(20)19-12(8)7-11(14)18/h2-3,5-7H,1,4,18H2,(H,19,20).
What are the key properties of 7-amino-6-(2,4-difluorophenoxy)-3,4-dihydro-1H-quinolin-2-one?
7-amino-6-(2,4-difluorophenoxy)-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 290.27 g/mol, XLogP of 3.22, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-6-(2,4-difluorophenoxy)-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 43449941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).