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

C17H13F4N3O3 — CID 45268724

IUPAC3-(1-ethyl-6-fluoro-2-oxoquinolin-7-yl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione
SMILESCCn1c(=O)ccc2cc(F)c(-n3c(=O)cc(C(F)(F)F)n(C)c3=O)cc21
InChIInChI=1S/C17H13F4N3O3/c1-3-23-11-7-12(10(18)6-9(11)4-5-14(23)25)24-15(26)8-13(17(19,20)21)22(2)16(24)27/h4-8H,3H2,1-2H3
InChIKeyWGFOWBPYVCVTBJ-UHFFFAOYSA-N
MW383.30 g/mol
LogP2.03
Rot. Bonds2

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

3-(1-ethyl-6-fluoro-2-oxoquinolin-7-yl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione (PubChem CID 45268724) has the molecular formula C17H13F4N3O3 and a molecular weight of 383.30 g/mol. Its IUPAC name is 3-(1-ethyl-6-fluoro-2-oxoquinolin-7-yl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-(1-ethyl-6-fluoro-2-oxoquinolin-7-yl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione
PubChem CID45268724
Molecular FormulaC17H13F4N3O3
Molecular Weight383.30 g/mol
Exact Mass383.09
IUPAC Name3-(1-ethyl-6-fluoro-2-oxoquinolin-7-yl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione
SMILESCCn1c(=O)ccc2cc(F)c(-n3c(=O)cc(C(F)(F)F)n(C)c3=O)cc21
InChIInChI=1S/C17H13F4N3O3/c1-3-23-11-7-12(10(18)6-9(11)4-5-14(23)25)24-15(26)8-13(17(19,20)21)22(2)16(24)27/h4-8H,3H2,1-2H3
InChIKeyWGFOWBPYVCVTBJ-UHFFFAOYSA-N
XLogP2.03
TPSA66.00 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.30
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 3063672
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CID 19025380
CID 19025380
CID 19025381
CID 19025381
CID 19025385
CID 19025385
CID 15958300
CID 15958300
CID 45266941
CID 45266941
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CID 45268693
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CID 45271249

Frequently Asked Questions

What is the IUPAC name of 3-(1-ethyl-6-fluoro-2-oxoquinolin-7-yl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione?
The IUPAC name of 3-(1-ethyl-6-fluoro-2-oxoquinolin-7-yl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione (CID 45268724) is 3-(1-ethyl-6-fluoro-2-oxoquinolin-7-yl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 3-(1-ethyl-6-fluoro-2-oxoquinolin-7-yl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione?
The canonical SMILES for 3-(1-ethyl-6-fluoro-2-oxoquinolin-7-yl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione is CCn1c(=O)ccc2cc(F)c(-n3c(=O)cc(C(F)(F)F)n(C)c3=O)cc21.
What is the InChIKey of 3-(1-ethyl-6-fluoro-2-oxoquinolin-7-yl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione?
The InChIKey is WGFOWBPYVCVTBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F4N3O3/c1-3-23-11-7-12(10(18)6-9(11)4-5-14(23)25)24-15(26)8-13(17(19,20)21)22(2)16(24)27/h4-8H,3H2,1-2H3.
What are the key properties of 3-(1-ethyl-6-fluoro-2-oxoquinolin-7-yl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione?
3-(1-ethyl-6-fluoro-2-oxoquinolin-7-yl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione has a molecular weight of 383.30 g/mol, XLogP of 2.03, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethyl-6-fluoro-2-oxoquinolin-7-yl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 45268724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).