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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Related Compounds

1,6,8,8,9-Pentamethyl-4-trifluoromethyl-8,9-dihydro-1H-pyrido[3,2-g]quinolin-2-one
CID 10640594
2,4(1H,3H)-Pyrimidinedione, dihydro-3-methyl-1-(4-(trifluoromethyl)phenyl)-
CID 3063672
1-Methyl-3-[1-(2-propynyl)-2-oxo-6-fluoro-1,2-dihydroquinoline-7-yl]-6-(trifluoromethyl)-pyrimidine-2,4(1H,3H)-dione
CID 19025380
1-Methyl-3-(1-allyl-2-oxo-6-fluoro-1,2-dihydroquinoline-7-yl)-6-(trifluoromethyl)-pyrimidine-2,4(1H,3H)-dione
CID 19025381
3-(6-Fluoroquinolin-2-on-7-yl)-1-methyl-6-trifluoromethyluracil
CID 19025385
2,4(1H,3H)-Pyrimidinedione, 1-[(2,6-difluorophenyl)methyl]-3-phenyl-
CID 15958300
2-[6-Fluoro-7-[3-methyl-2,6-dioxo-4-(trifluoromethyl)pyrimidin-1-yl]-2-oxoquinolin-1-yl]acetonitrile
CID 45267847
Methyl 2-[6-fluoro-7-[3-methyl-2,6-dioxo-4-(trifluoromethyl)pyrimidin-1-yl]-2-oxoquinolin-1-yl]acetate
CID 45268693
3-(1-Ethyl-6-fluoro-2-oxoquinolin-7-yl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione
CID 45268724
3-(6-Fluoro-2-oxo-1-propylquinolin-7-yl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione
CID 45271249
3-[6-Fluoro-1-(2-methylpropyl)-2-oxoquinolin-7-yl]-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione
CID 45272947
A-OT-Fu
CID 54535626

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).