3-[7-fluoro-4-(methylamino)-3-oxo-1,2-dihydroquinoxalin-6-yl]-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione

C15H13F4N5O3 — CID 20707599

IUPAC3-[7-fluoro-4-(methylamino)-3-oxo-1,2-dihydroquinoxalin-6-yl]-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione
SMILESCNN1C(=O)CNc2cc(F)c(-n3c(=O)cc(C(F)(F)F)n(C)c3=O)cc21
InChIInChI=1S/C15H13F4N5O3/c1-20-24-10-4-9(7(16)3-8(10)21-6-13(24)26)23-12(25)5-11(15(17,18)19)22(2)14(23)27/h3-5,20-21H,6H2,1-2H3
InChIKeyRTSSLEIQJSFVRV-UHFFFAOYSA-N
MW387.29 g/mol
LogP0.59
Rot. Bonds2

About 3-[7-fluoro-4-(methylamino)-3-oxo-1,2-dihydroquinoxalin-6-yl]-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione

3-[7-fluoro-4-(methylamino)-3-oxo-1,2-dihydroquinoxalin-6-yl]-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione (PubChem CID 20707599) has the molecular formula C15H13F4N5O3 and a molecular weight of 387.29 g/mol. Its IUPAC name is 3-[7-fluoro-4-(methylamino)-3-oxo-1,2-dihydroquinoxalin-6-yl]-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-[7-fluoro-4-(methylamino)-3-oxo-1,2-dihydroquinoxalin-6-yl]-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione
PubChem CID20707599
Molecular FormulaC15H13F4N5O3
Molecular Weight387.29 g/mol
Exact Mass387.10
IUPAC Name3-[7-fluoro-4-(methylamino)-3-oxo-1,2-dihydroquinoxalin-6-yl]-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione
SMILESCNN1C(=O)CNc2cc(F)c(-n3c(=O)cc(C(F)(F)F)n(C)c3=O)cc21
InChIInChI=1S/C15H13F4N5O3/c1-20-24-10-4-9(7(16)3-8(10)21-6-13(24)26)23-12(25)5-11(15(17,18)19)22(2)14(23)27/h3-5,20-21H,6H2,1-2H3
InChIKeyRTSSLEIQJSFVRV-UHFFFAOYSA-N
XLogP0.59
TPSA88.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.29
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-ethyl-7,8-difluoro-1,3-dimethyl-10H-benzo[g]pteridine-2,4-dione
CID 91567635
1-Amino-3-[7-chloro-4-(methylamino)-3-oxo-1,2-dihydroquinoxalin-6-yl]-6-(trifluoromethyl)pyrimidine-2,4-dione
CID 20707581
1-Amino-3-(7-fluoro-4-methoxy-3-oxo-1,2-dihydroquinoxalin-6-yl)-6-(trifluoromethyl)pyrimidine-2,4-dione
CID 20707582
1-Amino-3-[7-fluoro-4-(methylamino)-3-oxo-1,2-dihydroquinoxalin-6-yl]-6-(trifluoromethyl)pyrimidine-2,4-dione
CID 20707583
1-Methyl-3-[4-(methylamino)-3-oxo-1,2-dihydroquinoxalin-6-yl]-6-(trifluoromethyl)pyrimidine-2,4-dione
CID 20707586
3-(4-Methoxy-3-oxo-1,2-dihydroquinoxalin-6-yl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione
CID 20707593
3-[7-Chloro-4-(methylamino)-3-oxo-1,2-dihydroquinoxalin-6-yl]-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione
CID 20707596
3-(7-Fluoro-4-methoxy-3-oxo-1,2-dihydroquinoxalin-6-yl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione
CID 20707597
3-(7-fluoro-4-methoxy-3-oxo-1,2-dihydroquinoxalin-6-yl)-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione
CID 20707598
3-[7-fluoro-4-(methylamino)-3-oxo-1,2-dihydroquinoxalin-6-yl]-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione
CID 20707600
3-[6-fluoro-3-prop-2-enyl-2-(trifluoromethyl)-1H-benzotriazol-5-yl]-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione
CID 22921547
3-(7-fluoro-3-oxo-2,4-dihydro-1H-quinoxalin-6-yl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione
CID 67753613

Frequently Asked Questions

What is the IUPAC name of 3-[7-fluoro-4-(methylamino)-3-oxo-1,2-dihydroquinoxalin-6-yl]-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione?
The IUPAC name of 3-[7-fluoro-4-(methylamino)-3-oxo-1,2-dihydroquinoxalin-6-yl]-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione (CID 20707599) is 3-[7-fluoro-4-(methylamino)-3-oxo-1,2-dihydroquinoxalin-6-yl]-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 3-[7-fluoro-4-(methylamino)-3-oxo-1,2-dihydroquinoxalin-6-yl]-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione?
The canonical SMILES for 3-[7-fluoro-4-(methylamino)-3-oxo-1,2-dihydroquinoxalin-6-yl]-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione is CNN1C(=O)CNc2cc(F)c(-n3c(=O)cc(C(F)(F)F)n(C)c3=O)cc21.
What is the InChIKey of 3-[7-fluoro-4-(methylamino)-3-oxo-1,2-dihydroquinoxalin-6-yl]-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione?
The InChIKey is RTSSLEIQJSFVRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F4N5O3/c1-20-24-10-4-9(7(16)3-8(10)21-6-13(24)26)23-12(25)5-11(15(17,18)19)22(2)14(23)27/h3-5,20-21H,6H2,1-2H3.
What are the key properties of 3-[7-fluoro-4-(methylamino)-3-oxo-1,2-dihydroquinoxalin-6-yl]-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione?
3-[7-fluoro-4-(methylamino)-3-oxo-1,2-dihydroquinoxalin-6-yl]-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione has a molecular weight of 387.29 g/mol, XLogP of 0.59, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[7-fluoro-4-(methylamino)-3-oxo-1,2-dihydroquinoxalin-6-yl]-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 20707599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).