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

C19H11F3N4O2 — CID 169108229

IUPAC7-[3-[4-(trifluoromethyl)phenoxy]pyrazin-2-yl]-3H-quinazolin-4-one
SMILESO=c1[nH]cnc2cc(-c3nccnc3Oc3ccc(C(F)(F)F)cc3)ccc12
InChIInChI=1S/C19H11F3N4O2/c20-19(21,22)12-2-4-13(5-3-12)28-18-16(23-7-8-24-18)11-1-6-14-15(9-11)25-10-26-17(14)27/h1-10H,(H,25,26,27)
InChIKeyDLJNTSPFJDBOHR-UHFFFAOYSA-N
MW384.32 g/mol
LogP4.19
Rot. Bonds3

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

7-[3-[4-(trifluoromethyl)phenoxy]pyrazin-2-yl]-3H-quinazolin-4-one (PubChem CID 169108229) has the molecular formula C19H11F3N4O2 and a molecular weight of 384.32 g/mol. Its IUPAC name is 7-[3-[4-(trifluoromethyl)phenoxy]pyrazin-2-yl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name7-[3-[4-(trifluoromethyl)phenoxy]pyrazin-2-yl]-3H-quinazolin-4-one
PubChem CID169108229
Molecular FormulaC19H11F3N4O2
Molecular Weight384.32 g/mol
Exact Mass384.08
IUPAC Name7-[3-[4-(trifluoromethyl)phenoxy]pyrazin-2-yl]-3H-quinazolin-4-one
SMILESO=c1[nH]cnc2cc(-c3nccnc3Oc3ccc(C(F)(F)F)cc3)ccc12
InChIInChI=1S/C19H11F3N4O2/c20-19(21,22)12-2-4-13(5-3-12)28-18-16(23-7-8-24-18)11-1-6-14-15(9-11)25-10-26-17(14)27/h1-10H,(H,25,26,27)
InChIKeyDLJNTSPFJDBOHR-UHFFFAOYSA-N
XLogP4.19
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.32
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

7-[3-[4-(trifluoromethyl)phenoxy]pyrazin-2-yl]-1H-quinolin-4-one
CID 169108089
5-amino-4-[4-(trifluoromethyl)phenoxy]-1H-pyrimidin-6-one
CID 103240889
2-[4-bis(ethenyl)phosphorylphenyl]-3-[4-(trifluoromethyl)phenoxy]pyrazine
CID 169108639
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
7-pyridin-2-yl-3H-quinazolin-4-one
CID 135682059
7-(5-methoxypyrimidin-2-yl)-3H-quinazolin-4-one
CID 175827513
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
5-methoxy-4-[3-(trifluoromethyl)phenoxy]-1H-pyrimidin-6-one
CID 103241247

Frequently Asked Questions

What is the IUPAC name of 7-[3-[4-(trifluoromethyl)phenoxy]pyrazin-2-yl]-3H-quinazolin-4-one?
The IUPAC name of 7-[3-[4-(trifluoromethyl)phenoxy]pyrazin-2-yl]-3H-quinazolin-4-one (CID 169108229) is 7-[3-[4-(trifluoromethyl)phenoxy]pyrazin-2-yl]-3H-quinazolin-4-one.
What is the SMILES notation for 7-[3-[4-(trifluoromethyl)phenoxy]pyrazin-2-yl]-3H-quinazolin-4-one?
The canonical SMILES for 7-[3-[4-(trifluoromethyl)phenoxy]pyrazin-2-yl]-3H-quinazolin-4-one is O=c1[nH]cnc2cc(-c3nccnc3Oc3ccc(C(F)(F)F)cc3)ccc12.
What is the InChIKey of 7-[3-[4-(trifluoromethyl)phenoxy]pyrazin-2-yl]-3H-quinazolin-4-one?
The InChIKey is DLJNTSPFJDBOHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11F3N4O2/c20-19(21,22)12-2-4-13(5-3-12)28-18-16(23-7-8-24-18)11-1-6-14-15(9-11)25-10-26-17(14)27/h1-10H,(H,25,26,27).
What are the key properties of 7-[3-[4-(trifluoromethyl)phenoxy]pyrazin-2-yl]-3H-quinazolin-4-one?
7-[3-[4-(trifluoromethyl)phenoxy]pyrazin-2-yl]-3H-quinazolin-4-one has a molecular weight of 384.32 g/mol, XLogP of 4.19, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-[4-(trifluoromethyl)phenoxy]pyrazin-2-yl]-3H-quinazolin-4-one is sourced from PubChem (CID 169108229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).