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

C16H11F4N3O3 — CID 45266941

IUPAC3-(6-fluoro-1-methyl-2-oxoquinolin-7-yl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione
SMILESCn1c(C(F)(F)F)cc(=O)n(-c2cc3c(ccc(=O)n3C)cc2F)c1=O
InChIInChI=1S/C16H11F4N3O3/c1-21-10-6-11(9(17)5-8(10)3-4-13(21)24)23-14(25)7-12(16(18,19)20)22(2)15(23)26/h3-7H,1-2H3
InChIKeyDSKSHQYDGPILEX-UHFFFAOYSA-N
MW369.27 g/mol
LogP1.55
Rot. Bonds1

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

3-(6-fluoro-1-methyl-2-oxoquinolin-7-yl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione (PubChem CID 45266941) has the molecular formula C16H11F4N3O3 and a molecular weight of 369.27 g/mol. Its IUPAC name is 3-(6-fluoro-1-methyl-2-oxoquinolin-7-yl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-(6-fluoro-1-methyl-2-oxoquinolin-7-yl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione
PubChem CID45266941
Molecular FormulaC16H11F4N3O3
Molecular Weight369.27 g/mol
Exact Mass369.07
IUPAC Name3-(6-fluoro-1-methyl-2-oxoquinolin-7-yl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione
SMILESCn1c(C(F)(F)F)cc(=O)n(-c2cc3c(ccc(=O)n3C)cc2F)c1=O
InChIInChI=1S/C16H11F4N3O3/c1-21-10-6-11(9(17)5-8(10)3-4-13(21)24)23-14(25)7-12(16(18,19)20)22(2)15(23)26/h3-7H,1-2H3
InChIKeyDSKSHQYDGPILEX-UHFFFAOYSA-N
XLogP1.55
TPSA66.00 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.27
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(6-fluoro-1-methyl-2-oxoquinolin-7-yl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione?
The IUPAC name of 3-(6-fluoro-1-methyl-2-oxoquinolin-7-yl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione (CID 45266941) is 3-(6-fluoro-1-methyl-2-oxoquinolin-7-yl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 3-(6-fluoro-1-methyl-2-oxoquinolin-7-yl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione?
The canonical SMILES for 3-(6-fluoro-1-methyl-2-oxoquinolin-7-yl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione is Cn1c(C(F)(F)F)cc(=O)n(-c2cc3c(ccc(=O)n3C)cc2F)c1=O.
What is the InChIKey of 3-(6-fluoro-1-methyl-2-oxoquinolin-7-yl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione?
The InChIKey is DSKSHQYDGPILEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F4N3O3/c1-21-10-6-11(9(17)5-8(10)3-4-13(21)24)23-14(25)7-12(16(18,19)20)22(2)15(23)26/h3-7H,1-2H3.
What are the key properties of 3-(6-fluoro-1-methyl-2-oxoquinolin-7-yl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione?
3-(6-fluoro-1-methyl-2-oxoquinolin-7-yl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione has a molecular weight of 369.27 g/mol, XLogP of 1.55, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-fluoro-1-methyl-2-oxoquinolin-7-yl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 45266941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).