ethyl 4-oxo-1-phenyl-1,8-naphthyridine-3-carboxylate

C17H14N2O3 — CID 12972523

IUPACethyl 4-oxo-1-phenyl-1,8-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1cn(-c2ccccc2)c2ncccc2c1=O
InChIInChI=1S/C17H14N2O3/c1-2-22-17(21)14-11-19(12-7-4-3-5-8-12)16-13(15(14)20)9-6-10-18-16/h3-11H,2H2,1H3
InChIKeyRYKFJFYBSLNCOT-UHFFFAOYSA-N
MW294.31 g/mol
LogP2.56
Rot. Bonds3

About ethyl 4-oxo-1-phenyl-1,8-naphthyridine-3-carboxylate

ethyl 4-oxo-1-phenyl-1,8-naphthyridine-3-carboxylate (PubChem CID 12972523) has the molecular formula C17H14N2O3 and a molecular weight of 294.31 g/mol. Its IUPAC name is ethyl 4-oxo-1-phenyl-1,8-naphthyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-oxo-1-phenyl-1,8-naphthyridine-3-carboxylate
PubChem CID12972523
Molecular FormulaC17H14N2O3
Molecular Weight294.31 g/mol
Exact Mass294.10
IUPAC Nameethyl 4-oxo-1-phenyl-1,8-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1cn(-c2ccccc2)c2ncccc2c1=O
InChIInChI=1S/C17H14N2O3/c1-2-22-17(21)14-11-19(12-7-4-3-5-8-12)16-13(15(14)20)9-6-10-18-16/h3-11H,2H2,1H3
InChIKeyRYKFJFYBSLNCOT-UHFFFAOYSA-N
XLogP2.56
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

CID 4421
CID 4421
CID 2137
CID 2137
CID 23675318
CID 23675318
CID 3864541
CID 3864541
CID 5373687
CID 5373687
CID 1268243
CID 1268243
CID 1483244
CID 1483244
CID 3609289
CID 3609289
CID 3981051
CID 3981051
CID 25000364
CID 25000364
CID 604668
CID 604668
CID 5744078
CID 5744078

Frequently Asked Questions

What is the IUPAC name of ethyl 4-oxo-1-phenyl-1,8-naphthyridine-3-carboxylate?
The IUPAC name of ethyl 4-oxo-1-phenyl-1,8-naphthyridine-3-carboxylate (CID 12972523) is ethyl 4-oxo-1-phenyl-1,8-naphthyridine-3-carboxylate.
What is the SMILES notation for ethyl 4-oxo-1-phenyl-1,8-naphthyridine-3-carboxylate?
The canonical SMILES for ethyl 4-oxo-1-phenyl-1,8-naphthyridine-3-carboxylate is CCOC(=O)c1cn(-c2ccccc2)c2ncccc2c1=O.
What is the InChIKey of ethyl 4-oxo-1-phenyl-1,8-naphthyridine-3-carboxylate?
The InChIKey is RYKFJFYBSLNCOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O3/c1-2-22-17(21)14-11-19(12-7-4-3-5-8-12)16-13(15(14)20)9-6-10-18-16/h3-11H,2H2,1H3.
What are the key properties of ethyl 4-oxo-1-phenyl-1,8-naphthyridine-3-carboxylate?
ethyl 4-oxo-1-phenyl-1,8-naphthyridine-3-carboxylate has a molecular weight of 294.31 g/mol, XLogP of 2.56, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-oxo-1-phenyl-1,8-naphthyridine-3-carboxylate is sourced from PubChem (CID 12972523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).