ethyl 2-oxo-1-phenyl-1,7-naphthyridine-3-carboxylate

C17H14N2O3 — CID 122512958

IUPACethyl 2-oxo-1-phenyl-1,7-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1cc2ccncc2n(-c2ccccc2)c1=O
InChIInChI=1S/C17H14N2O3/c1-2-22-17(21)14-10-12-8-9-18-11-15(12)19(16(14)20)13-6-4-3-5-7-13/h3-11H,2H2,1H3
InChIKeyIJDHCESLHROHGW-UHFFFAOYSA-N
MW294.31 g/mol
LogP2.56
Rot. Bonds3

About ethyl 2-oxo-1-phenyl-1,7-naphthyridine-3-carboxylate

ethyl 2-oxo-1-phenyl-1,7-naphthyridine-3-carboxylate (PubChem CID 122512958) has the molecular formula C17H14N2O3 and a molecular weight of 294.31 g/mol. Its IUPAC name is ethyl 2-oxo-1-phenyl-1,7-naphthyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-oxo-1-phenyl-1,7-naphthyridine-3-carboxylate
PubChem CID122512958
Molecular FormulaC17H14N2O3
Molecular Weight294.31 g/mol
Exact Mass294.10
IUPAC Nameethyl 2-oxo-1-phenyl-1,7-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1cc2ccncc2n(-c2ccccc2)c1=O
InChIInChI=1S/C17H14N2O3/c1-2-22-17(21)14-10-12-8-9-18-11-15(12)19(16(14)20)13-6-4-3-5-7-13/h3-11H,2H2,1H3
InChIKeyIJDHCESLHROHGW-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

ethyl 2-methylsulfanyl-4-oxo-1-phenyl-1,7-naphthyridine-3-carboxylate
CID 58589568
ethyl 1-(6-methoxy-3-pyridinyl)-2-oxo-1,8-naphthyridine-3-carboxylate
CID 67010881
ethyl 6-methyl-2-oxo-1-phenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-3-carboxylate
CID 140810608
ethyl 2-methyl-3-phenylimidazole-4-carboxylate
CID 134397442
ethyl 6-(difluoromethyl)-2-oxo-1-phenylpyridine-3-carboxylate;ethyl 6-(hydroxymethyl)-2-oxo-1-phenylpyridine-3-carboxylate
CID 158887335
ethyl 2-methyl-3,5-dioxo-4-phenyl-1,2,4-triazine-6-carboxylate
CID 90397805
diethyl 3,4-dihydroxy-1-phenylpyrrole-2,5-dicarboxylate
CID 2801528
ethyl 6-(2,2-dimethylpropanoyl)-3-oxo-2-phenylpyridazine-4-carboxylate
CID 100786022
ethyl 3-bromo-7-oxo-1-phenylpyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 13216656
ethyl 4-methyl-2-methylsulfanyl-6-oxo-1-phenylpyrimidine-5-carboxylate
CID 11483531
ethyl 7-oxo-1-phenylpyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 13216595
2-hydroxy-1-[4-(2-methylpyrrolo[2,3-c]pyridin-1-yl)phenyl]-2-phenylethanone
CID 118078623

Frequently Asked Questions

What is the IUPAC name of ethyl 2-oxo-1-phenyl-1,7-naphthyridine-3-carboxylate?
The IUPAC name of ethyl 2-oxo-1-phenyl-1,7-naphthyridine-3-carboxylate (CID 122512958) is ethyl 2-oxo-1-phenyl-1,7-naphthyridine-3-carboxylate.
What is the SMILES notation for ethyl 2-oxo-1-phenyl-1,7-naphthyridine-3-carboxylate?
The canonical SMILES for ethyl 2-oxo-1-phenyl-1,7-naphthyridine-3-carboxylate is CCOC(=O)c1cc2ccncc2n(-c2ccccc2)c1=O.
What is the InChIKey of ethyl 2-oxo-1-phenyl-1,7-naphthyridine-3-carboxylate?
The InChIKey is IJDHCESLHROHGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O3/c1-2-22-17(21)14-10-12-8-9-18-11-15(12)19(16(14)20)13-6-4-3-5-7-13/h3-11H,2H2,1H3.
What are the key properties of ethyl 2-oxo-1-phenyl-1,7-naphthyridine-3-carboxylate?
ethyl 2-oxo-1-phenyl-1,7-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 2-oxo-1-phenyl-1,7-naphthyridine-3-carboxylate is sourced from PubChem (CID 122512958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).