7-fluoro-4-[1-(6-methoxy-3-pyridinyl)azetidin-3-yl]-1,4-benzoxazin-3-one

C17H16FN3O3 — CID 150428949

IUPAC7-fluoro-4-[1-(6-methoxy-3-pyridinyl)azetidin-3-yl]-1,4-benzoxazin-3-one
SMILESCOc1ccc(N2CC(N3C(=O)COc4cc(F)ccc43)C2)cn1
InChIInChI=1S/C17H16FN3O3/c1-23-16-5-3-12(7-19-16)20-8-13(9-20)21-14-4-2-11(18)6-15(14)24-10-17(21)22/h2-7,13H,8-10H2,1H3
InChIKeyHJJJKISBMAUZLA-UHFFFAOYSA-N
MW329.33 g/mol
LogP1.84
Rot. Bonds3

About 7-fluoro-4-[1-(6-methoxy-3-pyridinyl)azetidin-3-yl]-1,4-benzoxazin-3-one

7-fluoro-4-[1-(6-methoxy-3-pyridinyl)azetidin-3-yl]-1,4-benzoxazin-3-one (PubChem CID 150428949) has the molecular formula C17H16FN3O3 and a molecular weight of 329.33 g/mol. Its IUPAC name is 7-fluoro-4-[1-(6-methoxy-3-pyridinyl)azetidin-3-yl]-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name7-fluoro-4-[1-(6-methoxy-3-pyridinyl)azetidin-3-yl]-1,4-benzoxazin-3-one
PubChem CID150428949
Molecular FormulaC17H16FN3O3
Molecular Weight329.33 g/mol
Exact Mass329.12
IUPAC Name7-fluoro-4-[1-(6-methoxy-3-pyridinyl)azetidin-3-yl]-1,4-benzoxazin-3-one
SMILESCOc1ccc(N2CC(N3C(=O)COc4cc(F)ccc43)C2)cn1
InChIInChI=1S/C17H16FN3O3/c1-23-16-5-3-12(7-19-16)20-8-13(9-20)21-14-4-2-11(18)6-15(14)24-10-17(21)22/h2-7,13H,8-10H2,1H3
InChIKeyHJJJKISBMAUZLA-UHFFFAOYSA-N
XLogP1.84
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.33
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 7-fluoro-4-[1-(6-methoxy-3-pyridinyl)azetidin-3-yl]-1,4-benzoxazin-3-one with MolForge

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Related Compounds

3-(7-fluoro-3-oxo-1,4-benzoxazin-4-yl)azetidine-1-carboxylic acid
CID 174930741
5-fluoro-1-[1-(6-methoxy-3-pyridinyl)azetidin-3-yl]-3-methylindole
CID 153405999
methyl 3-(7-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)-N-(6-methoxy-3-pyridinyl)azetidine-1-carboximidothioate
CID 135177409
5-[3-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)azetidin-1-yl]-4-(6-methoxy-3-pyridinyl)-N-methyl-1,2,4-triazol-3-amine
CID 150904203
[5-[3-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)azetidin-1-yl]-4-(6-methoxy-3-pyridinyl)-1,2,4-triazol-3-yl]methanamine
CID 135177595
1-(6-methoxy-3-pyridinyl)piperidin-4-one
CID 22000279
(7-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)-[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]methanone
CID 126779738
6-fluoro-2-(6-methoxy-3-pyridinyl)-3H-isoindol-1-imine
CID 63291737
4,7-dimethoxy-1,4-benzoxazin-3-one
CID 135083959
7-fluoro-4-hexyl-1,4-benzoxazin-3-one
CID 53364243
9-(6-methoxy-3-pyridinyl)-9-azabicyclo[3.3.1]nonan-3-one
CID 62712505
(5R)-3-(4-cyclopropyl-3-oxo-1,4-benzoxazin-7-yl)-2-oxo-1,3-oxazolidine-5-carboxamide
CID 58746333

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-4-[1-(6-methoxy-3-pyridinyl)azetidin-3-yl]-1,4-benzoxazin-3-one?
The IUPAC name of 7-fluoro-4-[1-(6-methoxy-3-pyridinyl)azetidin-3-yl]-1,4-benzoxazin-3-one (CID 150428949) is 7-fluoro-4-[1-(6-methoxy-3-pyridinyl)azetidin-3-yl]-1,4-benzoxazin-3-one.
What is the SMILES notation for 7-fluoro-4-[1-(6-methoxy-3-pyridinyl)azetidin-3-yl]-1,4-benzoxazin-3-one?
The canonical SMILES for 7-fluoro-4-[1-(6-methoxy-3-pyridinyl)azetidin-3-yl]-1,4-benzoxazin-3-one is COc1ccc(N2CC(N3C(=O)COc4cc(F)ccc43)C2)cn1.
What is the InChIKey of 7-fluoro-4-[1-(6-methoxy-3-pyridinyl)azetidin-3-yl]-1,4-benzoxazin-3-one?
The InChIKey is HJJJKISBMAUZLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3O3/c1-23-16-5-3-12(7-19-16)20-8-13(9-20)21-14-4-2-11(18)6-15(14)24-10-17(21)22/h2-7,13H,8-10H2,1H3.
What are the key properties of 7-fluoro-4-[1-(6-methoxy-3-pyridinyl)azetidin-3-yl]-1,4-benzoxazin-3-one?
7-fluoro-4-[1-(6-methoxy-3-pyridinyl)azetidin-3-yl]-1,4-benzoxazin-3-one has a molecular weight of 329.33 g/mol, XLogP of 1.84, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-4-[1-(6-methoxy-3-pyridinyl)azetidin-3-yl]-1,4-benzoxazin-3-one is sourced from PubChem (CID 150428949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).