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

C24H24FN3O5 — CID 58882934

IUPACethyl 7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)-1,5-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2n(CC(=O)N2CCCC2)c1=O
InChIInChI=1S/C24H24FN3O5/c1-2-33-24(32)20-22(30)21-18(28(23(20)31)14-19(29)27-9-3-4-10-27)12-16(13-26-21)11-15-5-7-17(25)8-6-15/h5-8,12-13,30H,2-4,9-11,14H2,1H3
InChIKeyUKVPURUYTYPCKA-UHFFFAOYSA-N
MW453.47 g/mol
LogP2.63
Rot. Bonds6

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

ethyl 7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)-1,5-naphthyridine-3-carboxylate (PubChem CID 58882934) has the molecular formula C24H24FN3O5 and a molecular weight of 453.47 g/mol. Its IUPAC name is ethyl 7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)-1,5-naphthyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)-1,5-naphthyridine-3-carboxylate
PubChem CID58882934
Molecular FormulaC24H24FN3O5
Molecular Weight453.47 g/mol
Exact Mass453.17
IUPAC Nameethyl 7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)-1,5-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2n(CC(=O)N2CCCC2)c1=O
InChIInChI=1S/C24H24FN3O5/c1-2-33-24(32)20-22(30)21-18(28(23(20)31)14-19(29)27-9-3-4-10-27)12-16(13-26-21)11-15-5-7-17(25)8-6-15/h5-8,12-13,30H,2-4,9-11,14H2,1H3
InChIKeyUKVPURUYTYPCKA-UHFFFAOYSA-N
XLogP2.63
TPSA101.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.47
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)-1,5-naphthyridine-3-carboxylate?
The IUPAC name of ethyl 7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)-1,5-naphthyridine-3-carboxylate (CID 58882934) is ethyl 7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)-1,5-naphthyridine-3-carboxylate.
What is the SMILES notation for ethyl 7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)-1,5-naphthyridine-3-carboxylate?
The canonical SMILES for ethyl 7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)-1,5-naphthyridine-3-carboxylate is CCOC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2n(CC(=O)N2CCCC2)c1=O.
What is the InChIKey of ethyl 7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)-1,5-naphthyridine-3-carboxylate?
The InChIKey is UKVPURUYTYPCKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN3O5/c1-2-33-24(32)20-22(30)21-18(28(23(20)31)14-19(29)27-9-3-4-10-27)12-16(13-26-21)11-15-5-7-17(25)8-6-15/h5-8,12-13,30H,2-4,9-11,14H2,1H3.
What are the key properties of ethyl 7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)-1,5-naphthyridine-3-carboxylate?
ethyl 7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)-1,5-naphthyridine-3-carboxylate has a molecular weight of 453.47 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)-1,5-naphthyridine-3-carboxylate is sourced from PubChem (CID 58882934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).