ethyl 4-hydroxy-2-oxo-1-phenyl-7-(trifluoromethyl)-1,8-naphthyridine-3-carboxylate

C18H13F3N2O4 — CID 166095197

IUPACethyl 4-hydroxy-2-oxo-1-phenyl-7-(trifluoromethyl)-1,8-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1c(O)c2ccc(C(F)(F)F)nc2n(-c2ccccc2)c1=O
InChIInChI=1S/C18H13F3N2O4/c1-2-27-17(26)13-14(24)11-8-9-12(18(19,20)21)22-15(11)23(16(13)25)10-6-4-3-5-7-10/h3-9,24H,2H2,1H3
InChIKeyPLTDPHMQLYBCNR-UHFFFAOYSA-N
MW378.31 g/mol
LogP3.29
Rot. Bonds3

About ethyl 4-hydroxy-2-oxo-1-phenyl-7-(trifluoromethyl)-1,8-naphthyridine-3-carboxylate

ethyl 4-hydroxy-2-oxo-1-phenyl-7-(trifluoromethyl)-1,8-naphthyridine-3-carboxylate (PubChem CID 166095197) has the molecular formula C18H13F3N2O4 and a molecular weight of 378.31 g/mol. Its IUPAC name is ethyl 4-hydroxy-2-oxo-1-phenyl-7-(trifluoromethyl)-1,8-naphthyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-hydroxy-2-oxo-1-phenyl-7-(trifluoromethyl)-1,8-naphthyridine-3-carboxylate
PubChem CID166095197
Molecular FormulaC18H13F3N2O4
Molecular Weight378.31 g/mol
Exact Mass378.08
IUPAC Nameethyl 4-hydroxy-2-oxo-1-phenyl-7-(trifluoromethyl)-1,8-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1c(O)c2ccc(C(F)(F)F)nc2n(-c2ccccc2)c1=O
InChIInChI=1S/C18H13F3N2O4/c1-2-27-17(26)13-14(24)11-8-9-12(18(19,20)21)22-15(11)23(16(13)25)10-6-4-3-5-7-10/h3-9,24H,2H2,1H3
InChIKeyPLTDPHMQLYBCNR-UHFFFAOYSA-N
XLogP3.29
TPSA81.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.31
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-hydroxy-2-oxo-1-phenyl-7-(trifluoromethyl)-1,8-naphthyridine-3-carboxylate?
The IUPAC name of ethyl 4-hydroxy-2-oxo-1-phenyl-7-(trifluoromethyl)-1,8-naphthyridine-3-carboxylate (CID 166095197) is ethyl 4-hydroxy-2-oxo-1-phenyl-7-(trifluoromethyl)-1,8-naphthyridine-3-carboxylate.
What is the SMILES notation for ethyl 4-hydroxy-2-oxo-1-phenyl-7-(trifluoromethyl)-1,8-naphthyridine-3-carboxylate?
The canonical SMILES for ethyl 4-hydroxy-2-oxo-1-phenyl-7-(trifluoromethyl)-1,8-naphthyridine-3-carboxylate is CCOC(=O)c1c(O)c2ccc(C(F)(F)F)nc2n(-c2ccccc2)c1=O.
What is the InChIKey of ethyl 4-hydroxy-2-oxo-1-phenyl-7-(trifluoromethyl)-1,8-naphthyridine-3-carboxylate?
The InChIKey is PLTDPHMQLYBCNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F3N2O4/c1-2-27-17(26)13-14(24)11-8-9-12(18(19,20)21)22-15(11)23(16(13)25)10-6-4-3-5-7-10/h3-9,24H,2H2,1H3.
What are the key properties of ethyl 4-hydroxy-2-oxo-1-phenyl-7-(trifluoromethyl)-1,8-naphthyridine-3-carboxylate?
ethyl 4-hydroxy-2-oxo-1-phenyl-7-(trifluoromethyl)-1,8-naphthyridine-3-carboxylate has a molecular weight of 378.31 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-hydroxy-2-oxo-1-phenyl-7-(trifluoromethyl)-1,8-naphthyridine-3-carboxylate is sourced from PubChem (CID 166095197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).