6-ethoxy-3-(7-fluoro-3-oxo-4-propyl-1,4-benzoxazin-6-yl)-1H-1,3,5-triazine-2,4-dione

C16H17FN4O5 — CID 15279980

IUPAC6-ethoxy-3-(7-fluoro-3-oxo-4-propyl-1,4-benzoxazin-6-yl)-1H-1,3,5-triazine-2,4-dione
SMILESCCCN1C(=O)COc2cc(F)c(-n3c(=O)nc(OCC)[nH]c3=O)cc21
InChIInChI=1S/C16H17FN4O5/c1-3-5-20-11-7-10(9(17)6-12(11)26-8-13(20)22)21-15(23)18-14(25-4-2)19-16(21)24/h6-7H,3-5,8H2,1-2H3,(H,18,19,23,24)
InChIKeyNDVSTXZNJIVRLD-UHFFFAOYSA-N
MW364.33 g/mol
LogP0.59
Rot. Bonds5

About 6-ethoxy-3-(7-fluoro-3-oxo-4-propyl-1,4-benzoxazin-6-yl)-1H-1,3,5-triazine-2,4-dione

6-ethoxy-3-(7-fluoro-3-oxo-4-propyl-1,4-benzoxazin-6-yl)-1H-1,3,5-triazine-2,4-dione (PubChem CID 15279980) has the molecular formula C16H17FN4O5 and a molecular weight of 364.33 g/mol. Its IUPAC name is 6-ethoxy-3-(7-fluoro-3-oxo-4-propyl-1,4-benzoxazin-6-yl)-1H-1,3,5-triazine-2,4-dione.

Molecular Properties

Compound Name6-ethoxy-3-(7-fluoro-3-oxo-4-propyl-1,4-benzoxazin-6-yl)-1H-1,3,5-triazine-2,4-dione
PubChem CID15279980
Molecular FormulaC16H17FN4O5
Molecular Weight364.33 g/mol
Exact Mass364.12
IUPAC Name6-ethoxy-3-(7-fluoro-3-oxo-4-propyl-1,4-benzoxazin-6-yl)-1H-1,3,5-triazine-2,4-dione
SMILESCCCN1C(=O)COc2cc(F)c(-n3c(=O)nc(OCC)[nH]c3=O)cc21
InChIInChI=1S/C16H17FN4O5/c1-3-5-20-11-7-10(9(17)6-12(11)26-8-13(20)22)21-15(23)18-14(25-4-2)19-16(21)24/h6-7H,3-5,8H2,1-2H3,(H,18,19,23,24)
InChIKeyNDVSTXZNJIVRLD-UHFFFAOYSA-N
XLogP0.59
TPSA106.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.33
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-3-(7-fluoro-3-oxo-4-propyl-1,4-benzoxazin-6-yl)-1H-1,3,5-triazine-2,4-dione?
The IUPAC name of 6-ethoxy-3-(7-fluoro-3-oxo-4-propyl-1,4-benzoxazin-6-yl)-1H-1,3,5-triazine-2,4-dione (CID 15279980) is 6-ethoxy-3-(7-fluoro-3-oxo-4-propyl-1,4-benzoxazin-6-yl)-1H-1,3,5-triazine-2,4-dione.
What is the SMILES notation for 6-ethoxy-3-(7-fluoro-3-oxo-4-propyl-1,4-benzoxazin-6-yl)-1H-1,3,5-triazine-2,4-dione?
The canonical SMILES for 6-ethoxy-3-(7-fluoro-3-oxo-4-propyl-1,4-benzoxazin-6-yl)-1H-1,3,5-triazine-2,4-dione is CCCN1C(=O)COc2cc(F)c(-n3c(=O)nc(OCC)[nH]c3=O)cc21.
What is the InChIKey of 6-ethoxy-3-(7-fluoro-3-oxo-4-propyl-1,4-benzoxazin-6-yl)-1H-1,3,5-triazine-2,4-dione?
The InChIKey is NDVSTXZNJIVRLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN4O5/c1-3-5-20-11-7-10(9(17)6-12(11)26-8-13(20)22)21-15(23)18-14(25-4-2)19-16(21)24/h6-7H,3-5,8H2,1-2H3,(H,18,19,23,24).
What are the key properties of 6-ethoxy-3-(7-fluoro-3-oxo-4-propyl-1,4-benzoxazin-6-yl)-1H-1,3,5-triazine-2,4-dione?
6-ethoxy-3-(7-fluoro-3-oxo-4-propyl-1,4-benzoxazin-6-yl)-1H-1,3,5-triazine-2,4-dione has a molecular weight of 364.33 g/mol, XLogP of 0.59, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-3-(7-fluoro-3-oxo-4-propyl-1,4-benzoxazin-6-yl)-1H-1,3,5-triazine-2,4-dione is sourced from PubChem (CID 15279980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).