8a-ethyl-7-[8-(trifluoromethyl)quinolin-4-yl]-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one

C18H18F3N3O2 — CID 154565788

IUPAC8a-ethyl-7-[8-(trifluoromethyl)quinolin-4-yl]-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one
SMILESCCC12COC(=O)N1CCN(c1ccnc3c(C(F)(F)F)cccc13)C2
InChIInChI=1S/C18H18F3N3O2/c1-2-17-10-23(8-9-24(17)16(25)26-11-17)14-6-7-22-15-12(14)4-3-5-13(15)18(19,20)21/h3-7H,2,8-11H2,1H3
InChIKeyOBVACFMWGJNQEN-UHFFFAOYSA-N
MW365.36 g/mol
LogP3.67
Rot. Bonds2

About 8a-ethyl-7-[8-(trifluoromethyl)quinolin-4-yl]-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one

8a-ethyl-7-[8-(trifluoromethyl)quinolin-4-yl]-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one (PubChem CID 154565788) has the molecular formula C18H18F3N3O2 and a molecular weight of 365.36 g/mol. Its IUPAC name is 8a-ethyl-7-[8-(trifluoromethyl)quinolin-4-yl]-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one.

Molecular Properties

Compound Name8a-ethyl-7-[8-(trifluoromethyl)quinolin-4-yl]-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one
PubChem CID154565788
Molecular FormulaC18H18F3N3O2
Molecular Weight365.36 g/mol
Exact Mass365.14
IUPAC Name8a-ethyl-7-[8-(trifluoromethyl)quinolin-4-yl]-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one
SMILESCCC12COC(=O)N1CCN(c1ccnc3c(C(F)(F)F)cccc13)C2
InChIInChI=1S/C18H18F3N3O2/c1-2-17-10-23(8-9-24(17)16(25)26-11-17)14-6-7-22-15-12(14)4-3-5-13(15)18(19,20)21/h3-7H,2,8-11H2,1H3
InChIKeyOBVACFMWGJNQEN-UHFFFAOYSA-N
XLogP3.67
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.36
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8a-ethyl-7-[8-(trifluoromethyl)quinolin-4-yl]-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one?
The IUPAC name of 8a-ethyl-7-[8-(trifluoromethyl)quinolin-4-yl]-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one (CID 154565788) is 8a-ethyl-7-[8-(trifluoromethyl)quinolin-4-yl]-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one.
What is the SMILES notation for 8a-ethyl-7-[8-(trifluoromethyl)quinolin-4-yl]-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one?
The canonical SMILES for 8a-ethyl-7-[8-(trifluoromethyl)quinolin-4-yl]-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one is CCC12COC(=O)N1CCN(c1ccnc3c(C(F)(F)F)cccc13)C2.
What is the InChIKey of 8a-ethyl-7-[8-(trifluoromethyl)quinolin-4-yl]-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one?
The InChIKey is OBVACFMWGJNQEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3N3O2/c1-2-17-10-23(8-9-24(17)16(25)26-11-17)14-6-7-22-15-12(14)4-3-5-13(15)18(19,20)21/h3-7H,2,8-11H2,1H3.
What are the key properties of 8a-ethyl-7-[8-(trifluoromethyl)quinolin-4-yl]-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one?
8a-ethyl-7-[8-(trifluoromethyl)quinolin-4-yl]-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one has a molecular weight of 365.36 g/mol, XLogP of 3.67, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8a-ethyl-7-[8-(trifluoromethyl)quinolin-4-yl]-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one is sourced from PubChem (CID 154565788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).