7-chloro-6-(2-fluoroethylimino)quinoline-5,8-dione

C11H8ClFN2O2 — CID 123611354

IUPAC7-chloro-6-(2-fluoroethylimino)quinoline-5,8-dione
SMILESO=C1/C(=N/CCF)C(Cl)C(=O)c2ncccc21
InChIInChI=1S/C11H8ClFN2O2/c12-7-9(15-5-3-13)10(16)6-2-1-4-14-8(6)11(7)17/h1-2,4,7H,3,5H2/b15-9+
InChIKeyJAAOEIGDTCOGKA-OQLLNIDSSA-N
MW254.65 g/mol
LogP1.48
Rot. Bonds2

About 7-chloro-6-(2-fluoroethylimino)quinoline-5,8-dione

7-chloro-6-(2-fluoroethylimino)quinoline-5,8-dione (PubChem CID 123611354) has the molecular formula C11H8ClFN2O2 and a molecular weight of 254.65 g/mol. Its IUPAC name is 7-chloro-6-(2-fluoroethylimino)quinoline-5,8-dione.

Molecular Properties

Compound Name7-chloro-6-(2-fluoroethylimino)quinoline-5,8-dione
PubChem CID123611354
Molecular FormulaC11H8ClFN2O2
Molecular Weight254.65 g/mol
Exact Mass254.03
IUPAC Name7-chloro-6-(2-fluoroethylimino)quinoline-5,8-dione
SMILESO=C1/C(=N/CCF)C(Cl)C(=O)c2ncccc21
InChIInChI=1S/C11H8ClFN2O2/c12-7-9(15-5-3-13)10(16)6-2-1-4-14-8(6)11(7)17/h1-2,4,7H,3,5H2/b15-9+
InChIKeyJAAOEIGDTCOGKA-OQLLNIDSSA-N
XLogP1.48
TPSA59.39 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.65
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-[2-(1-adamantyl)ethylimino]-3-chloronaphthalene-1,4-dione
CID 7168437
4,7-phenanthroline-5,6-dione
CID 6764
7-methylsulfanyl-6-[2-(trifluoromethylsulfanyl)phenyl]iminoquinoline-5,8-dione
CID 57316978
cyclopenta[b]pyridine-5,7-dione
CID 20617921
6,10,16-triazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-8-one
CID 15480973
phenanthro[9,10-g]quinoline-9,14-dione
CID 71437214
6-cyclopropylidene-1,10-phenanthrolin-5-one
CID 70853557
7-(2-bromoethylamino)-6-chloroquinoline-5,8-dione
CID 46887907
naphtho[1,2-h]quinoline-11,12-dione
CID 126542594
6-chloro-7-(1-methylpyrrol-2-yl)quinoline-5,8-dione
CID 22461848
zinc;2,3-dipyridin-2-ylpyridine;sulfate
CID 175077808
3-(bromomethyl)pyrido[3,2-g]quinoline-5,10-dione
CID 11141199

Frequently Asked Questions

What is the IUPAC name of 7-chloro-6-(2-fluoroethylimino)quinoline-5,8-dione?
The IUPAC name of 7-chloro-6-(2-fluoroethylimino)quinoline-5,8-dione (CID 123611354) is 7-chloro-6-(2-fluoroethylimino)quinoline-5,8-dione.
What is the SMILES notation for 7-chloro-6-(2-fluoroethylimino)quinoline-5,8-dione?
The canonical SMILES for 7-chloro-6-(2-fluoroethylimino)quinoline-5,8-dione is O=C1/C(=N/CCF)C(Cl)C(=O)c2ncccc21.
What is the InChIKey of 7-chloro-6-(2-fluoroethylimino)quinoline-5,8-dione?
The InChIKey is JAAOEIGDTCOGKA-OQLLNIDSSA-N. The full InChI is InChI=1S/C11H8ClFN2O2/c12-7-9(15-5-3-13)10(16)6-2-1-4-14-8(6)11(7)17/h1-2,4,7H,3,5H2/b15-9+.
What are the key properties of 7-chloro-6-(2-fluoroethylimino)quinoline-5,8-dione?
7-chloro-6-(2-fluoroethylimino)quinoline-5,8-dione has a molecular weight of 254.65 g/mol, XLogP of 1.48, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-6-(2-fluoroethylimino)quinoline-5,8-dione is sourced from PubChem (CID 123611354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).