ethyl 4-oxo-2-[3-(trifluoromethyl)phenoxy]pyrido[1,2-a]pyrimidine-3-carboxylate

C18H13F3N2O4 — CID 67320724

IUPACethyl 4-oxo-2-[3-(trifluoromethyl)phenoxy]pyrido[1,2-a]pyrimidine-3-carboxylate
SMILESCCOC(=O)c1c(Oc2cccc(C(F)(F)F)c2)nc2ccccn2c1=O
InChIInChI=1S/C18H13F3N2O4/c1-2-26-17(25)14-15(22-13-8-3-4-9-23(13)16(14)24)27-12-7-5-6-11(10-12)18(19,20)21/h3-10H,2H2,1H3
InChIKeySKVQSRITVUXDJD-UHFFFAOYSA-N
MW378.31 g/mol
LogP3.68
Rot. Bonds4

About ethyl 4-oxo-2-[3-(trifluoromethyl)phenoxy]pyrido[1,2-a]pyrimidine-3-carboxylate

ethyl 4-oxo-2-[3-(trifluoromethyl)phenoxy]pyrido[1,2-a]pyrimidine-3-carboxylate (PubChem CID 67320724) has the molecular formula C18H13F3N2O4 and a molecular weight of 378.31 g/mol. Its IUPAC name is ethyl 4-oxo-2-[3-(trifluoromethyl)phenoxy]pyrido[1,2-a]pyrimidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-oxo-2-[3-(trifluoromethyl)phenoxy]pyrido[1,2-a]pyrimidine-3-carboxylate
PubChem CID67320724
Molecular FormulaC18H13F3N2O4
Molecular Weight378.31 g/mol
Exact Mass378.08
IUPAC Nameethyl 4-oxo-2-[3-(trifluoromethyl)phenoxy]pyrido[1,2-a]pyrimidine-3-carboxylate
SMILESCCOC(=O)c1c(Oc2cccc(C(F)(F)F)c2)nc2ccccn2c1=O
InChIInChI=1S/C18H13F3N2O4/c1-2-26-17(25)14-15(22-13-8-3-4-9-23(13)16(14)24)27-12-7-5-6-11(10-12)18(19,20)21/h3-10H,2H2,1H3
InChIKeySKVQSRITVUXDJD-UHFFFAOYSA-N
XLogP3.68
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.31
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl 4-oxo-2-[3-(trifluoromethyl)phenoxy]pyrido[1,2-a]pyrimidine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 4-oxo-2-[3-(trifluoromethyl)phenoxy]pyrido[1,2-a]pyrimidine-3-carboxylate?
The IUPAC name of ethyl 4-oxo-2-[3-(trifluoromethyl)phenoxy]pyrido[1,2-a]pyrimidine-3-carboxylate (CID 67320724) is ethyl 4-oxo-2-[3-(trifluoromethyl)phenoxy]pyrido[1,2-a]pyrimidine-3-carboxylate.
What is the SMILES notation for ethyl 4-oxo-2-[3-(trifluoromethyl)phenoxy]pyrido[1,2-a]pyrimidine-3-carboxylate?
The canonical SMILES for ethyl 4-oxo-2-[3-(trifluoromethyl)phenoxy]pyrido[1,2-a]pyrimidine-3-carboxylate is CCOC(=O)c1c(Oc2cccc(C(F)(F)F)c2)nc2ccccn2c1=O.
What is the InChIKey of ethyl 4-oxo-2-[3-(trifluoromethyl)phenoxy]pyrido[1,2-a]pyrimidine-3-carboxylate?
The InChIKey is SKVQSRITVUXDJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F3N2O4/c1-2-26-17(25)14-15(22-13-8-3-4-9-23(13)16(14)24)27-12-7-5-6-11(10-12)18(19,20)21/h3-10H,2H2,1H3.
What are the key properties of ethyl 4-oxo-2-[3-(trifluoromethyl)phenoxy]pyrido[1,2-a]pyrimidine-3-carboxylate?
ethyl 4-oxo-2-[3-(trifluoromethyl)phenoxy]pyrido[1,2-a]pyrimidine-3-carboxylate has a molecular weight of 378.31 g/mol, XLogP of 3.68, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-oxo-2-[3-(trifluoromethyl)phenoxy]pyrido[1,2-a]pyrimidine-3-carboxylate is sourced from PubChem (CID 67320724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).