3-(6-fluoro-2-oxo-1H-quinolin-7-yl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione

C15H9F4N3O3 — CID 19025385

IUPAC3-(6-fluoro-2-oxo-1H-quinolin-7-yl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione
SMILESCn1c(C(F)(F)F)cc(=O)n(-c2cc3[nH]c(=O)ccc3cc2F)c1=O
InChIInChI=1S/C15H9F4N3O3/c1-21-11(15(17,18)19)6-13(24)22(14(21)25)10-5-9-7(4-8(10)16)2-3-12(23)20-9/h2-6H,1H3,(H,20,23)
InChIKeyYZUCUIWLCWZLLC-UHFFFAOYSA-N
MW355.25 g/mol
LogP1.54
Rot. Bonds1

About 3-(6-fluoro-2-oxo-1H-quinolin-7-yl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione

3-(6-fluoro-2-oxo-1H-quinolin-7-yl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione (PubChem CID 19025385) has the molecular formula C15H9F4N3O3 and a molecular weight of 355.25 g/mol. Its IUPAC name is 3-(6-fluoro-2-oxo-1H-quinolin-7-yl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-(6-fluoro-2-oxo-1H-quinolin-7-yl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione
PubChem CID19025385
Molecular FormulaC15H9F4N3O3
Molecular Weight355.25 g/mol
Exact Mass355.06
IUPAC Name3-(6-fluoro-2-oxo-1H-quinolin-7-yl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione
SMILESCn1c(C(F)(F)F)cc(=O)n(-c2cc3[nH]c(=O)ccc3cc2F)c1=O
InChIInChI=1S/C15H9F4N3O3/c1-21-11(15(17,18)19)6-13(24)22(14(21)25)10-5-9-7(4-8(10)16)2-3-12(23)20-9/h2-6H,1H3,(H,20,23)
InChIKeyYZUCUIWLCWZLLC-UHFFFAOYSA-N
XLogP1.54
TPSA76.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.25
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(6-fluoro-2-oxo-1H-quinolin-7-yl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione?
The IUPAC name of 3-(6-fluoro-2-oxo-1H-quinolin-7-yl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione (CID 19025385) is 3-(6-fluoro-2-oxo-1H-quinolin-7-yl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 3-(6-fluoro-2-oxo-1H-quinolin-7-yl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione?
The canonical SMILES for 3-(6-fluoro-2-oxo-1H-quinolin-7-yl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione is Cn1c(C(F)(F)F)cc(=O)n(-c2cc3[nH]c(=O)ccc3cc2F)c1=O.
What is the InChIKey of 3-(6-fluoro-2-oxo-1H-quinolin-7-yl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione?
The InChIKey is YZUCUIWLCWZLLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F4N3O3/c1-21-11(15(17,18)19)6-13(24)22(14(21)25)10-5-9-7(4-8(10)16)2-3-12(23)20-9/h2-6H,1H3,(H,20,23).
What are the key properties of 3-(6-fluoro-2-oxo-1H-quinolin-7-yl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione?
3-(6-fluoro-2-oxo-1H-quinolin-7-yl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione has a molecular weight of 355.25 g/mol, XLogP of 1.54, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-fluoro-2-oxo-1H-quinolin-7-yl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 19025385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).