3-ethyl-6-fluoro-1,3-dimethylquinoline-2,4-dione

C13H14FNO2 — CID 155929726

IUPAC3-ethyl-6-fluoro-1,3-dimethylquinoline-2,4-dione
SMILESCCC1(C)C(=O)c2cc(F)ccc2N(C)C1=O
InChIInChI=1S/C13H14FNO2/c1-4-13(2)11(16)9-7-8(14)5-6-10(9)15(3)12(13)17/h5-7H,4H2,1-3H3
InChIKeyAINDUWGOIGNMCB-UHFFFAOYSA-N
MW235.26 g/mol
LogP2.40
Rot. Bonds1

About 3-ethyl-6-fluoro-1,3-dimethylquinoline-2,4-dione

3-ethyl-6-fluoro-1,3-dimethylquinoline-2,4-dione (PubChem CID 155929726) has the molecular formula C13H14FNO2 and a molecular weight of 235.26 g/mol. Its IUPAC name is 3-ethyl-6-fluoro-1,3-dimethylquinoline-2,4-dione.

Molecular Properties

Compound Name3-ethyl-6-fluoro-1,3-dimethylquinoline-2,4-dione
PubChem CID155929726
Molecular FormulaC13H14FNO2
Molecular Weight235.26 g/mol
Exact Mass235.10
IUPAC Name3-ethyl-6-fluoro-1,3-dimethylquinoline-2,4-dione
SMILESCCC1(C)C(=O)c2cc(F)ccc2N(C)C1=O
InChIInChI=1S/C13H14FNO2/c1-4-13(2)11(16)9-7-8(14)5-6-10(9)15(3)12(13)17/h5-7H,4H2,1-3H3
InChIKeyAINDUWGOIGNMCB-UHFFFAOYSA-N
XLogP2.40
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.26
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-Methylacridone
CID 69751
Buchapine
CID 461150
1-(2-Fluorobenzoyl)-1,2,3,4-tetrahydroquinoline
CID 772045
3,3-Dichloro-1-methylquinoline-2,4(1H,3H)-dione
CID 2785054
10-Methyl-1,3,4,10-tetrahydroacridin-9(2H)-one
CID 231951
4-Quinolinone, 1,2,3,4-tetrahydro-1,3,3-trimethyl-
CID 99218
1,3,3-Trimethyl-2,4(1H,3H)-quinolinedione
CID 99216
2,4-Difluorophenyl 1,2,3,4-tetrahydroquinolyl ketone
CID 736346
(3,4-Difluoro-phenyl)-(3,4-dihydro-2H-quinolin-1-yl)-methanone
CID 1081713
(2,3-Difluoro-phenyl)-(3,4-dihydro-2H-quinolin-1-yl)-methanone
CID 1081714
(2,3-Difluoro-4-methyl-phenyl)-(3,4-dihydro-2H-quinolin-1-yl)-methanone
CID 1081717
10-Ethyl-9-hydro-9-oxoacridine
CID 137494

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-6-fluoro-1,3-dimethylquinoline-2,4-dione?
The IUPAC name of 3-ethyl-6-fluoro-1,3-dimethylquinoline-2,4-dione (CID 155929726) is 3-ethyl-6-fluoro-1,3-dimethylquinoline-2,4-dione.
What is the SMILES notation for 3-ethyl-6-fluoro-1,3-dimethylquinoline-2,4-dione?
The canonical SMILES for 3-ethyl-6-fluoro-1,3-dimethylquinoline-2,4-dione is CCC1(C)C(=O)c2cc(F)ccc2N(C)C1=O.
What is the InChIKey of 3-ethyl-6-fluoro-1,3-dimethylquinoline-2,4-dione?
The InChIKey is AINDUWGOIGNMCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNO2/c1-4-13(2)11(16)9-7-8(14)5-6-10(9)15(3)12(13)17/h5-7H,4H2,1-3H3.
What are the key properties of 3-ethyl-6-fluoro-1,3-dimethylquinoline-2,4-dione?
3-ethyl-6-fluoro-1,3-dimethylquinoline-2,4-dione has a molecular weight of 235.26 g/mol, XLogP of 2.40, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-6-fluoro-1,3-dimethylquinoline-2,4-dione is sourced from PubChem (CID 155929726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).