6-fluoro-7-(3-fluoroazetidin-1-yl)quinoline-3-carboxamide

C13H11F2N3O — CID 129276091

IUPAC6-fluoro-7-(3-fluoroazetidin-1-yl)quinoline-3-carboxamide
SMILESNC(=O)c1cnc2cc(N3CC(F)C3)c(F)cc2c1
InChIInChI=1S/C13H11F2N3O/c14-9-5-18(6-9)12-3-11-7(2-10(12)15)1-8(4-17-11)13(16)19/h1-4,9H,5-6H2,(H2,16,19)
InChIKeySKGXYVDETXATLZ-UHFFFAOYSA-N
MW263.25 g/mol
LogP1.63
Rot. Bonds2

About 6-fluoro-7-(3-fluoroazetidin-1-yl)quinoline-3-carboxamide

6-fluoro-7-(3-fluoroazetidin-1-yl)quinoline-3-carboxamide (PubChem CID 129276091) has the molecular formula C13H11F2N3O and a molecular weight of 263.25 g/mol. Its IUPAC name is 6-fluoro-7-(3-fluoroazetidin-1-yl)quinoline-3-carboxamide.

Molecular Properties

Compound Name6-fluoro-7-(3-fluoroazetidin-1-yl)quinoline-3-carboxamide
PubChem CID129276091
Molecular FormulaC13H11F2N3O
Molecular Weight263.25 g/mol
Exact Mass263.09
IUPAC Name6-fluoro-7-(3-fluoroazetidin-1-yl)quinoline-3-carboxamide
SMILESNC(=O)c1cnc2cc(N3CC(F)C3)c(F)cc2c1
InChIInChI=1S/C13H11F2N3O/c14-9-5-18(6-9)12-3-11-7(2-10(12)15)1-8(4-17-11)13(16)19/h1-4,9H,5-6H2,(H2,16,19)
InChIKeySKGXYVDETXATLZ-UHFFFAOYSA-N
XLogP1.63
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.25
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-7-(3-fluoroazetidin-1-yl)quinoline-3-carboxamide?
The IUPAC name of 6-fluoro-7-(3-fluoroazetidin-1-yl)quinoline-3-carboxamide (CID 129276091) is 6-fluoro-7-(3-fluoroazetidin-1-yl)quinoline-3-carboxamide.
What is the SMILES notation for 6-fluoro-7-(3-fluoroazetidin-1-yl)quinoline-3-carboxamide?
The canonical SMILES for 6-fluoro-7-(3-fluoroazetidin-1-yl)quinoline-3-carboxamide is NC(=O)c1cnc2cc(N3CC(F)C3)c(F)cc2c1.
What is the InChIKey of 6-fluoro-7-(3-fluoroazetidin-1-yl)quinoline-3-carboxamide?
The InChIKey is SKGXYVDETXATLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F2N3O/c14-9-5-18(6-9)12-3-11-7(2-10(12)15)1-8(4-17-11)13(16)19/h1-4,9H,5-6H2,(H2,16,19).
What are the key properties of 6-fluoro-7-(3-fluoroazetidin-1-yl)quinoline-3-carboxamide?
6-fluoro-7-(3-fluoroazetidin-1-yl)quinoline-3-carboxamide has a molecular weight of 263.25 g/mol, XLogP of 1.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-7-(3-fluoroazetidin-1-yl)quinoline-3-carboxamide is sourced from PubChem (CID 129276091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).