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

C18H15F4N3O3 — CID 45271249

IUPAC3-(6-fluoro-2-oxo-1-propylquinolin-7-yl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione
SMILESCCCn1c(=O)ccc2cc(F)c(-n3c(=O)cc(C(F)(F)F)n(C)c3=O)cc21
InChIInChI=1S/C18H15F4N3O3/c1-3-6-24-12-8-13(11(19)7-10(12)4-5-15(24)26)25-16(27)9-14(18(20,21)22)23(2)17(25)28/h4-5,7-9H,3,6H2,1-2H3
InChIKeyGMMPCNBWLUJCSJ-UHFFFAOYSA-N
MW397.33 g/mol
LogP2.42
Rot. Bonds3

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

3-(6-fluoro-2-oxo-1-propylquinolin-7-yl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione (PubChem CID 45271249) has the molecular formula C18H15F4N3O3 and a molecular weight of 397.33 g/mol. Its IUPAC name is 3-(6-fluoro-2-oxo-1-propylquinolin-7-yl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-(6-fluoro-2-oxo-1-propylquinolin-7-yl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione
PubChem CID45271249
Molecular FormulaC18H15F4N3O3
Molecular Weight397.33 g/mol
Exact Mass397.10
IUPAC Name3-(6-fluoro-2-oxo-1-propylquinolin-7-yl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione
SMILESCCCn1c(=O)ccc2cc(F)c(-n3c(=O)cc(C(F)(F)F)n(C)c3=O)cc21
InChIInChI=1S/C18H15F4N3O3/c1-3-6-24-12-8-13(11(19)7-10(12)4-5-15(24)26)25-16(27)9-14(18(20,21)22)23(2)17(25)28/h4-5,7-9H,3,6H2,1-2H3
InChIKeyGMMPCNBWLUJCSJ-UHFFFAOYSA-N
XLogP2.42
TPSA66.00 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.33
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(6-fluoro-2-oxo-1-propylquinolin-7-yl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione?
The IUPAC name of 3-(6-fluoro-2-oxo-1-propylquinolin-7-yl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione (CID 45271249) is 3-(6-fluoro-2-oxo-1-propylquinolin-7-yl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 3-(6-fluoro-2-oxo-1-propylquinolin-7-yl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione?
The canonical SMILES for 3-(6-fluoro-2-oxo-1-propylquinolin-7-yl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione is CCCn1c(=O)ccc2cc(F)c(-n3c(=O)cc(C(F)(F)F)n(C)c3=O)cc21.
What is the InChIKey of 3-(6-fluoro-2-oxo-1-propylquinolin-7-yl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione?
The InChIKey is GMMPCNBWLUJCSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F4N3O3/c1-3-6-24-12-8-13(11(19)7-10(12)4-5-15(24)26)25-16(27)9-14(18(20,21)22)23(2)17(25)28/h4-5,7-9H,3,6H2,1-2H3.
What are the key properties of 3-(6-fluoro-2-oxo-1-propylquinolin-7-yl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione?
3-(6-fluoro-2-oxo-1-propylquinolin-7-yl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione has a molecular weight of 397.33 g/mol, XLogP of 2.42, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-fluoro-2-oxo-1-propylquinolin-7-yl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 45271249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).