ethyl 4-benzoyloxy-7-[(2-ethyl-4-fluorophenyl)methyl]-1-methyl-2-oxo-1,5-naphthyridine-3-carboxylate

C28H25FN2O5 — CID 59799164

IUPACethyl 4-benzoyloxy-7-[(2-ethyl-4-fluorophenyl)methyl]-1-methyl-2-oxo-1,5-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1c(OC(=O)c2ccccc2)c2ncc(Cc3ccc(F)cc3CC)cc2n(C)c1=O
InChIInChI=1S/C28H25FN2O5/c1-4-18-15-21(29)12-11-20(18)13-17-14-22-24(30-16-17)25(36-27(33)19-9-7-6-8-10-19)23(26(32)31(22)3)28(34)35-5-2/h6-12,14-16H,4-5,13H2,1-3H3
InChIKeyVOICWUMUPCXWKM-UHFFFAOYSA-N
MW488.52 g/mol
LogP4.62
Rot. Bonds7

About ethyl 4-benzoyloxy-7-[(2-ethyl-4-fluorophenyl)methyl]-1-methyl-2-oxo-1,5-naphthyridine-3-carboxylate

ethyl 4-benzoyloxy-7-[(2-ethyl-4-fluorophenyl)methyl]-1-methyl-2-oxo-1,5-naphthyridine-3-carboxylate (PubChem CID 59799164) has the molecular formula C28H25FN2O5 and a molecular weight of 488.52 g/mol. Its IUPAC name is ethyl 4-benzoyloxy-7-[(2-ethyl-4-fluorophenyl)methyl]-1-methyl-2-oxo-1,5-naphthyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-benzoyloxy-7-[(2-ethyl-4-fluorophenyl)methyl]-1-methyl-2-oxo-1,5-naphthyridine-3-carboxylate
PubChem CID59799164
Molecular FormulaC28H25FN2O5
Molecular Weight488.52 g/mol
Exact Mass488.17
IUPAC Nameethyl 4-benzoyloxy-7-[(2-ethyl-4-fluorophenyl)methyl]-1-methyl-2-oxo-1,5-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1c(OC(=O)c2ccccc2)c2ncc(Cc3ccc(F)cc3CC)cc2n(C)c1=O
InChIInChI=1S/C28H25FN2O5/c1-4-18-15-21(29)12-11-20(18)13-17-14-22-24(30-16-17)25(36-27(33)19-9-7-6-8-10-19)23(26(32)31(22)3)28(34)35-5-2/h6-12,14-16H,4-5,13H2,1-3H3
InChIKeyVOICWUMUPCXWKM-UHFFFAOYSA-N
XLogP4.62
TPSA87.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.52
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-benzoyloxy-7-[(2-ethyl-4-fluorophenyl)methyl]-1-methyl-2-oxo-1,5-naphthyridine-3-carboxylate?
The IUPAC name of ethyl 4-benzoyloxy-7-[(2-ethyl-4-fluorophenyl)methyl]-1-methyl-2-oxo-1,5-naphthyridine-3-carboxylate (CID 59799164) is ethyl 4-benzoyloxy-7-[(2-ethyl-4-fluorophenyl)methyl]-1-methyl-2-oxo-1,5-naphthyridine-3-carboxylate.
What is the SMILES notation for ethyl 4-benzoyloxy-7-[(2-ethyl-4-fluorophenyl)methyl]-1-methyl-2-oxo-1,5-naphthyridine-3-carboxylate?
The canonical SMILES for ethyl 4-benzoyloxy-7-[(2-ethyl-4-fluorophenyl)methyl]-1-methyl-2-oxo-1,5-naphthyridine-3-carboxylate is CCOC(=O)c1c(OC(=O)c2ccccc2)c2ncc(Cc3ccc(F)cc3CC)cc2n(C)c1=O.
What is the InChIKey of ethyl 4-benzoyloxy-7-[(2-ethyl-4-fluorophenyl)methyl]-1-methyl-2-oxo-1,5-naphthyridine-3-carboxylate?
The InChIKey is VOICWUMUPCXWKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25FN2O5/c1-4-18-15-21(29)12-11-20(18)13-17-14-22-24(30-16-17)25(36-27(33)19-9-7-6-8-10-19)23(26(32)31(22)3)28(34)35-5-2/h6-12,14-16H,4-5,13H2,1-3H3.
What are the key properties of ethyl 4-benzoyloxy-7-[(2-ethyl-4-fluorophenyl)methyl]-1-methyl-2-oxo-1,5-naphthyridine-3-carboxylate?
ethyl 4-benzoyloxy-7-[(2-ethyl-4-fluorophenyl)methyl]-1-methyl-2-oxo-1,5-naphthyridine-3-carboxylate has a molecular weight of 488.52 g/mol, XLogP of 4.62, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-benzoyloxy-7-[(2-ethyl-4-fluorophenyl)methyl]-1-methyl-2-oxo-1,5-naphthyridine-3-carboxylate is sourced from PubChem (CID 59799164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).