7-[3-[4-(trifluoromethyl)phenoxy]pyrazin-2-yl]-1H-quinolin-4-one

C20H12F3N3O2 — CID 169108089

IUPAC7-[3-[4-(trifluoromethyl)phenoxy]pyrazin-2-yl]-1H-quinolin-4-one
SMILESO=c1cc[nH]c2cc(-c3nccnc3Oc3ccc(C(F)(F)F)cc3)ccc12
InChIInChI=1S/C20H12F3N3O2/c21-20(22,23)13-2-4-14(5-3-13)28-19-18(25-9-10-26-19)12-1-6-15-16(11-12)24-8-7-17(15)27/h1-11H,(H,24,27)
InChIKeyWAHILAOHXMZQSB-UHFFFAOYSA-N
MW383.33 g/mol
LogP4.80
Rot. Bonds3

About 7-[3-[4-(trifluoromethyl)phenoxy]pyrazin-2-yl]-1H-quinolin-4-one

7-[3-[4-(trifluoromethyl)phenoxy]pyrazin-2-yl]-1H-quinolin-4-one (PubChem CID 169108089) has the molecular formula C20H12F3N3O2 and a molecular weight of 383.33 g/mol. Its IUPAC name is 7-[3-[4-(trifluoromethyl)phenoxy]pyrazin-2-yl]-1H-quinolin-4-one.

Molecular Properties

Compound Name7-[3-[4-(trifluoromethyl)phenoxy]pyrazin-2-yl]-1H-quinolin-4-one
PubChem CID169108089
Molecular FormulaC20H12F3N3O2
Molecular Weight383.33 g/mol
Exact Mass383.09
IUPAC Name7-[3-[4-(trifluoromethyl)phenoxy]pyrazin-2-yl]-1H-quinolin-4-one
SMILESO=c1cc[nH]c2cc(-c3nccnc3Oc3ccc(C(F)(F)F)cc3)ccc12
InChIInChI=1S/C20H12F3N3O2/c21-20(22,23)13-2-4-14(5-3-13)28-19-18(25-9-10-26-19)12-1-6-15-16(11-12)24-8-7-17(15)27/h1-11H,(H,24,27)
InChIKeyWAHILAOHXMZQSB-UHFFFAOYSA-N
XLogP4.80
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.33
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-[3-[4-(trifluoromethyl)phenoxy]pyrazin-2-yl]-3H-quinazolin-4-one
CID 169108229
2-[4-bis(ethenyl)phosphorylphenyl]-3-[4-(trifluoromethyl)phenoxy]pyrazine
CID 169108639
4-methoxy-7-(trifluoromethyl)quinoline;7-(trifluoromethyl)-1H-quinolin-4-one
CID 160718502
N-[2-fluoro-4-[3-[4-(trifluoromethyl)phenoxy]pyrazin-2-yl]phenyl]methanesulfonamide
CID 169108748
2-(4-ethenylsulfinylphenyl)-3-[4-(trifluoromethyl)phenoxy]pyrazine
CID 169108802
2-fluoro-N-methylsulfanyl-4-[3-[4-(trifluoromethyl)phenoxy]pyrazin-2-yl]aniline
CID 169108586
2-(4-ethenylsulfanylphenyl)-3-[4-(trifluoromethyl)phenoxy]pyrazine
CID 169108695
3-(fluoromethyl)-7-[3-[4-(trifluoromethyl)phenoxy]pyrazin-2-yl]-[1,2,4]triazolo[4,3-a]pyridine
CID 169107975
6-[2-[4-(trifluoromethyl)phenoxy]-3-pyridinyl]isoquinolin-1-amine
CID 169108194
7-(2,3,4-trifluorophenyl)-1H-quinolin-4-one
CID 21114820
5-amino-4-[4-(trifluoromethyl)phenoxy]-1H-pyrimidin-6-one
CID 103240889
benzenesulfonic acid;7-[5-methyl-6-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyrimidin-4-yl]-1H-quinolin-4-one
CID 11613739

Frequently Asked Questions

What is the IUPAC name of 7-[3-[4-(trifluoromethyl)phenoxy]pyrazin-2-yl]-1H-quinolin-4-one?
The IUPAC name of 7-[3-[4-(trifluoromethyl)phenoxy]pyrazin-2-yl]-1H-quinolin-4-one (CID 169108089) is 7-[3-[4-(trifluoromethyl)phenoxy]pyrazin-2-yl]-1H-quinolin-4-one.
What is the SMILES notation for 7-[3-[4-(trifluoromethyl)phenoxy]pyrazin-2-yl]-1H-quinolin-4-one?
The canonical SMILES for 7-[3-[4-(trifluoromethyl)phenoxy]pyrazin-2-yl]-1H-quinolin-4-one is O=c1cc[nH]c2cc(-c3nccnc3Oc3ccc(C(F)(F)F)cc3)ccc12.
What is the InChIKey of 7-[3-[4-(trifluoromethyl)phenoxy]pyrazin-2-yl]-1H-quinolin-4-one?
The InChIKey is WAHILAOHXMZQSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12F3N3O2/c21-20(22,23)13-2-4-14(5-3-13)28-19-18(25-9-10-26-19)12-1-6-15-16(11-12)24-8-7-17(15)27/h1-11H,(H,24,27).
What are the key properties of 7-[3-[4-(trifluoromethyl)phenoxy]pyrazin-2-yl]-1H-quinolin-4-one?
7-[3-[4-(trifluoromethyl)phenoxy]pyrazin-2-yl]-1H-quinolin-4-one has a molecular weight of 383.33 g/mol, XLogP of 4.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-[4-(trifluoromethyl)phenoxy]pyrazin-2-yl]-1H-quinolin-4-one is sourced from PubChem (CID 169108089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).