ethyl 1-(4-fluorophenyl)-4-oxo-1,8-naphthyridine-3-carboxylate

C17H13FN2O3 — CID 15540502

IUPACethyl 1-(4-fluorophenyl)-4-oxo-1,8-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1cn(-c2ccc(F)cc2)c2ncccc2c1=O
InChIInChI=1S/C17H13FN2O3/c1-2-23-17(22)14-10-20(12-7-5-11(18)6-8-12)16-13(15(14)21)4-3-9-19-16/h3-10H,2H2,1H3
InChIKeyPQQCDOYSZFCKLQ-UHFFFAOYSA-N
MW312.30 g/mol
LogP2.70
Rot. Bonds3

About ethyl 1-(4-fluorophenyl)-4-oxo-1,8-naphthyridine-3-carboxylate

ethyl 1-(4-fluorophenyl)-4-oxo-1,8-naphthyridine-3-carboxylate (PubChem CID 15540502) has the molecular formula C17H13FN2O3 and a molecular weight of 312.30 g/mol. Its IUPAC name is ethyl 1-(4-fluorophenyl)-4-oxo-1,8-naphthyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-(4-fluorophenyl)-4-oxo-1,8-naphthyridine-3-carboxylate
PubChem CID15540502
Molecular FormulaC17H13FN2O3
Molecular Weight312.30 g/mol
Exact Mass312.09
IUPAC Nameethyl 1-(4-fluorophenyl)-4-oxo-1,8-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1cn(-c2ccc(F)cc2)c2ncccc2c1=O
InChIInChI=1S/C17H13FN2O3/c1-2-23-17(22)14-10-20(12-7-5-11(18)6-8-12)16-13(15(14)21)4-3-9-19-16/h3-10H,2H2,1H3
InChIKeyPQQCDOYSZFCKLQ-UHFFFAOYSA-N
XLogP2.70
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.30
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-(4-fluorophenyl)-4-oxo-1,8-naphthyridine-3-carboxylate?
The IUPAC name of ethyl 1-(4-fluorophenyl)-4-oxo-1,8-naphthyridine-3-carboxylate (CID 15540502) is ethyl 1-(4-fluorophenyl)-4-oxo-1,8-naphthyridine-3-carboxylate.
What is the SMILES notation for ethyl 1-(4-fluorophenyl)-4-oxo-1,8-naphthyridine-3-carboxylate?
The canonical SMILES for ethyl 1-(4-fluorophenyl)-4-oxo-1,8-naphthyridine-3-carboxylate is CCOC(=O)c1cn(-c2ccc(F)cc2)c2ncccc2c1=O.
What is the InChIKey of ethyl 1-(4-fluorophenyl)-4-oxo-1,8-naphthyridine-3-carboxylate?
The InChIKey is PQQCDOYSZFCKLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN2O3/c1-2-23-17(22)14-10-20(12-7-5-11(18)6-8-12)16-13(15(14)21)4-3-9-19-16/h3-10H,2H2,1H3.
What are the key properties of ethyl 1-(4-fluorophenyl)-4-oxo-1,8-naphthyridine-3-carboxylate?
ethyl 1-(4-fluorophenyl)-4-oxo-1,8-naphthyridine-3-carboxylate has a molecular weight of 312.30 g/mol, XLogP of 2.70, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(4-fluorophenyl)-4-oxo-1,8-naphthyridine-3-carboxylate is sourced from PubChem (CID 15540502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).