4-[6-(3,3-difluoroazetidin-1-yl)pyridine-3-carbonyl]-1,3-dihydroquinoxalin-2-one

C17H14F2N4O2 — CID 170568770

IUPAC4-[6-(3,3-difluoroazetidin-1-yl)pyridine-3-carbonyl]-1,3-dihydroquinoxalin-2-one
SMILESO=C1CN(C(=O)c2ccc(N3CC(F)(F)C3)nc2)c2ccccc2N1
InChIInChI=1S/C17H14F2N4O2/c18-17(19)9-22(10-17)14-6-5-11(7-20-14)16(25)23-8-15(24)21-12-3-1-2-4-13(12)23/h1-7H,8-10H2,(H,21,24)
InChIKeyUQGSENCTDIQKSV-UHFFFAOYSA-N
MW344.32 g/mol
LogP2.14
Rot. Bonds2

About 4-[6-(3,3-difluoroazetidin-1-yl)pyridine-3-carbonyl]-1,3-dihydroquinoxalin-2-one

4-[6-(3,3-difluoroazetidin-1-yl)pyridine-3-carbonyl]-1,3-dihydroquinoxalin-2-one (PubChem CID 170568770) has the molecular formula C17H14F2N4O2 and a molecular weight of 344.32 g/mol. Its IUPAC name is 4-[6-(3,3-difluoroazetidin-1-yl)pyridine-3-carbonyl]-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name4-[6-(3,3-difluoroazetidin-1-yl)pyridine-3-carbonyl]-1,3-dihydroquinoxalin-2-one
PubChem CID170568770
Molecular FormulaC17H14F2N4O2
Molecular Weight344.32 g/mol
Exact Mass344.11
IUPAC Name4-[6-(3,3-difluoroazetidin-1-yl)pyridine-3-carbonyl]-1,3-dihydroquinoxalin-2-one
SMILESO=C1CN(C(=O)c2ccc(N3CC(F)(F)C3)nc2)c2ccccc2N1
InChIInChI=1S/C17H14F2N4O2/c18-17(19)9-22(10-17)14-6-5-11(7-20-14)16(25)23-8-15(24)21-12-3-1-2-4-13(12)23/h1-7H,8-10H2,(H,21,24)
InChIKeyUQGSENCTDIQKSV-UHFFFAOYSA-N
XLogP2.14
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.32
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[6-(3,3-difluoroazetidin-1-yl)pyridine-3-carbonyl]-1,3-dihydroquinoxalin-2-one?
The IUPAC name of 4-[6-(3,3-difluoroazetidin-1-yl)pyridine-3-carbonyl]-1,3-dihydroquinoxalin-2-one (CID 170568770) is 4-[6-(3,3-difluoroazetidin-1-yl)pyridine-3-carbonyl]-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for 4-[6-(3,3-difluoroazetidin-1-yl)pyridine-3-carbonyl]-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for 4-[6-(3,3-difluoroazetidin-1-yl)pyridine-3-carbonyl]-1,3-dihydroquinoxalin-2-one is O=C1CN(C(=O)c2ccc(N3CC(F)(F)C3)nc2)c2ccccc2N1.
What is the InChIKey of 4-[6-(3,3-difluoroazetidin-1-yl)pyridine-3-carbonyl]-1,3-dihydroquinoxalin-2-one?
The InChIKey is UQGSENCTDIQKSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F2N4O2/c18-17(19)9-22(10-17)14-6-5-11(7-20-14)16(25)23-8-15(24)21-12-3-1-2-4-13(12)23/h1-7H,8-10H2,(H,21,24).
What are the key properties of 4-[6-(3,3-difluoroazetidin-1-yl)pyridine-3-carbonyl]-1,3-dihydroquinoxalin-2-one?
4-[6-(3,3-difluoroazetidin-1-yl)pyridine-3-carbonyl]-1,3-dihydroquinoxalin-2-one has a molecular weight of 344.32 g/mol, XLogP of 2.14, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(3,3-difluoroazetidin-1-yl)pyridine-3-carbonyl]-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 170568770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).