ethyl 6-fluoro-1-(2-hydroxyethyl)-4-oxo-7-pyridin-4-yl-1,8-naphthyridine-3-carboxylate

C18H16FN3O4 — CID 13309025

IUPACethyl 6-fluoro-1-(2-hydroxyethyl)-4-oxo-7-pyridin-4-yl-1,8-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1cn(CCO)c2nc(-c3ccncc3)c(F)cc2c1=O
InChIInChI=1S/C18H16FN3O4/c1-2-26-18(25)13-10-22(7-8-23)17-12(16(13)24)9-14(19)15(21-17)11-3-5-20-6-4-11/h3-6,9-10,23H,2,7-8H2,1H3
InChIKeyXRBOCSRBPPAIOJ-UHFFFAOYSA-N
MW357.34 g/mol
LogP1.77
Rot. Bonds5

About ethyl 6-fluoro-1-(2-hydroxyethyl)-4-oxo-7-pyridin-4-yl-1,8-naphthyridine-3-carboxylate

ethyl 6-fluoro-1-(2-hydroxyethyl)-4-oxo-7-pyridin-4-yl-1,8-naphthyridine-3-carboxylate (PubChem CID 13309025) has the molecular formula C18H16FN3O4 and a molecular weight of 357.34 g/mol. Its IUPAC name is ethyl 6-fluoro-1-(2-hydroxyethyl)-4-oxo-7-pyridin-4-yl-1,8-naphthyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-fluoro-1-(2-hydroxyethyl)-4-oxo-7-pyridin-4-yl-1,8-naphthyridine-3-carboxylate
PubChem CID13309025
Molecular FormulaC18H16FN3O4
Molecular Weight357.34 g/mol
Exact Mass357.11
IUPAC Nameethyl 6-fluoro-1-(2-hydroxyethyl)-4-oxo-7-pyridin-4-yl-1,8-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1cn(CCO)c2nc(-c3ccncc3)c(F)cc2c1=O
InChIInChI=1S/C18H16FN3O4/c1-2-26-18(25)13-10-22(7-8-23)17-12(16(13)24)9-14(19)15(21-17)11-3-5-20-6-4-11/h3-6,9-10,23H,2,7-8H2,1H3
InChIKeyXRBOCSRBPPAIOJ-UHFFFAOYSA-N
XLogP1.77
TPSA94.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.34
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-fluoro-1-(2-hydroxyethyl)-4-oxo-7-pyridin-4-yl-1,8-naphthyridine-3-carboxylate?
The IUPAC name of ethyl 6-fluoro-1-(2-hydroxyethyl)-4-oxo-7-pyridin-4-yl-1,8-naphthyridine-3-carboxylate (CID 13309025) is ethyl 6-fluoro-1-(2-hydroxyethyl)-4-oxo-7-pyridin-4-yl-1,8-naphthyridine-3-carboxylate.
What is the SMILES notation for ethyl 6-fluoro-1-(2-hydroxyethyl)-4-oxo-7-pyridin-4-yl-1,8-naphthyridine-3-carboxylate?
The canonical SMILES for ethyl 6-fluoro-1-(2-hydroxyethyl)-4-oxo-7-pyridin-4-yl-1,8-naphthyridine-3-carboxylate is CCOC(=O)c1cn(CCO)c2nc(-c3ccncc3)c(F)cc2c1=O.
What is the InChIKey of ethyl 6-fluoro-1-(2-hydroxyethyl)-4-oxo-7-pyridin-4-yl-1,8-naphthyridine-3-carboxylate?
The InChIKey is XRBOCSRBPPAIOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O4/c1-2-26-18(25)13-10-22(7-8-23)17-12(16(13)24)9-14(19)15(21-17)11-3-5-20-6-4-11/h3-6,9-10,23H,2,7-8H2,1H3.
What are the key properties of ethyl 6-fluoro-1-(2-hydroxyethyl)-4-oxo-7-pyridin-4-yl-1,8-naphthyridine-3-carboxylate?
ethyl 6-fluoro-1-(2-hydroxyethyl)-4-oxo-7-pyridin-4-yl-1,8-naphthyridine-3-carboxylate has a molecular weight of 357.34 g/mol, XLogP of 1.77, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-fluoro-1-(2-hydroxyethyl)-4-oxo-7-pyridin-4-yl-1,8-naphthyridine-3-carboxylate is sourced from PubChem (CID 13309025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).