3-fluoro-3-heptyl-1H-quinoline-2,4-dione

C16H20FNO2 — CID 2784364

IUPAC3-fluoro-3-heptyl-1H-quinoline-2,4-dione
SMILESCCCCCCCC1(F)C(=O)Nc2ccccc2C1=O
InChIInChI=1S/C16H20FNO2/c1-2-3-4-5-8-11-16(17)14(19)12-9-6-7-10-13(12)18-15(16)20/h6-7,9-10H,2-5,8,11H2,1H3,(H,18,20)
InChIKeyKWRIKJRHNPWJPR-UHFFFAOYSA-N
MW277.34 g/mol
LogP3.89
Rot. Bonds6

About 3-fluoro-3-heptyl-1H-quinoline-2,4-dione

3-fluoro-3-heptyl-1H-quinoline-2,4-dione (PubChem CID 2784364) has the molecular formula C16H20FNO2 and a molecular weight of 277.34 g/mol. Its IUPAC name is 3-fluoro-3-heptyl-1H-quinoline-2,4-dione.

Molecular Properties

Compound Name3-fluoro-3-heptyl-1H-quinoline-2,4-dione
PubChem CID2784364
Molecular FormulaC16H20FNO2
Molecular Weight277.34 g/mol
Exact Mass277.15
IUPAC Name3-fluoro-3-heptyl-1H-quinoline-2,4-dione
SMILESCCCCCCCC1(F)C(=O)Nc2ccccc2C1=O
InChIInChI=1S/C16H20FNO2/c1-2-3-4-5-8-11-16(17)14(19)12-9-6-7-10-13(12)18-15(16)20/h6-7,9-10H,2-5,8,11H2,1H3,(H,18,20)
InChIKeyKWRIKJRHNPWJPR-UHFFFAOYSA-N
XLogP3.89
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.34
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-3-hexyl-1H-quinoline-2,4-dione
CID 10403960
3-hydroxy-3-octyl-1H-indol-2-one
CID 83036797
(3R)-3-benzyl-3-fluoro-1H-quinoline-2,4-dione
CID 825188
2-hexyl-2-phenyl-1H-indol-3-one
CID 132839339
4,4-dipentyl-1H-3,1-benzoxazin-2-one
CID 70402861
3-butyl-3-hydroxy-1H-indol-2-one
CID 15744776
9,9-dioctylfluorene;ethane;fluoren-9-one;methane
CID 158051918
9,9-didecylfluorene
CID 5135289
9,9-di(docosyl)fluorene
CID 22568526
4-(3-fluoro-2-oxo-1H-indol-3-yl)butyl acetate
CID 101031126
(2Z)-2-(3-butyl-3-hydroxy-2-oxo-1H-quinolin-4-ylidene)acetic acid
CID 177489818
2-[2-(3-fluoro-2-oxo-1H-indol-3-yl)ethyl]isoindole-1,3-dione
CID 11012759

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-3-heptyl-1H-quinoline-2,4-dione?
The IUPAC name of 3-fluoro-3-heptyl-1H-quinoline-2,4-dione (CID 2784364) is 3-fluoro-3-heptyl-1H-quinoline-2,4-dione.
What is the SMILES notation for 3-fluoro-3-heptyl-1H-quinoline-2,4-dione?
The canonical SMILES for 3-fluoro-3-heptyl-1H-quinoline-2,4-dione is CCCCCCCC1(F)C(=O)Nc2ccccc2C1=O.
What is the InChIKey of 3-fluoro-3-heptyl-1H-quinoline-2,4-dione?
The InChIKey is KWRIKJRHNPWJPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FNO2/c1-2-3-4-5-8-11-16(17)14(19)12-9-6-7-10-13(12)18-15(16)20/h6-7,9-10H,2-5,8,11H2,1H3,(H,18,20).
What are the key properties of 3-fluoro-3-heptyl-1H-quinoline-2,4-dione?
3-fluoro-3-heptyl-1H-quinoline-2,4-dione has a molecular weight of 277.34 g/mol, XLogP of 3.89, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-3-heptyl-1H-quinoline-2,4-dione is sourced from PubChem (CID 2784364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).