ethyl 1-ethyl-7-methyl-4-oxo-6-phenyl-1,8-naphthyridine-3-carboxylate

C20H20N2O3 — CID 15414746

IUPACethyl 1-ethyl-7-methyl-4-oxo-6-phenyl-1,8-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1cn(CC)c2nc(C)c(-c3ccccc3)cc2c1=O
InChIInChI=1S/C20H20N2O3/c1-4-22-12-17(20(24)25-5-2)18(23)16-11-15(13(3)21-19(16)22)14-9-7-6-8-10-14/h6-12H,4-5H2,1-3H3
InChIKeyBLGYULYPCIQCPE-UHFFFAOYSA-N
MW336.39 g/mol
LogP3.57
Rot. Bonds4

About ethyl 1-ethyl-7-methyl-4-oxo-6-phenyl-1,8-naphthyridine-3-carboxylate

ethyl 1-ethyl-7-methyl-4-oxo-6-phenyl-1,8-naphthyridine-3-carboxylate (PubChem CID 15414746) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is ethyl 1-ethyl-7-methyl-4-oxo-6-phenyl-1,8-naphthyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-ethyl-7-methyl-4-oxo-6-phenyl-1,8-naphthyridine-3-carboxylate
PubChem CID15414746
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC Nameethyl 1-ethyl-7-methyl-4-oxo-6-phenyl-1,8-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1cn(CC)c2nc(C)c(-c3ccccc3)cc2c1=O
InChIInChI=1S/C20H20N2O3/c1-4-22-12-17(20(24)25-5-2)18(23)16-11-15(13(3)21-19(16)22)14-9-7-6-8-10-14/h6-12H,4-5H2,1-3H3
InChIKeyBLGYULYPCIQCPE-UHFFFAOYSA-N
XLogP3.57
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 6-amino-1-ethyl-7-methoxy-4-oxo-1,8-naphthyridine-3-carboxylate
CID 13041126
ethyl 6-[(2,6-dichloro-4-pyridinyl)amino]-1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate
CID 11223923
ethyl 8-ethyl-5-oxo-2-pyridin-3-ylpyrido[2,3-d]pyrimidine-6-carboxylate
CID 12847896
(6-ethoxycarbonyl-8-ethyl-5-oxo-1,8-naphthyridin-3-yl)boronic acid
CID 140944007
ethyl 7-ethenyl-1-ethyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylate
CID 15636889
ethyl 6-aminooxy-1-ethyl-4-oxo-1,8-naphthyridine-3-carboxylate
CID 90120654
ethyl 8-ethyl-3-methanidyl-5-oxopyrido[2,3-c]pyridazine-6-carboxylate;yttrium(3+)
CID 20794343
ethyl 8-ethyl-5-oxo-2-pyridin-4-ylpyrido[2,3-d]pyrimidine-6-carboxylate
CID 12847897
ethyl 6-chloro-1-ethyl-4-oxo-7-(4-phenyl-1,3-thiazol-2-yl)quinoline-3-carboxylate
CID 15050584
2-oxopropyl 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate
CID 3302196
butanoyloxymethyl 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate
CID 23276372
6-(2,3-dihydro-1H-inden-2-yloxy)-1-ethyl-4-oxo-1,8-naphthyridine-3-carboxylic acid;ethyl 6-(2,3-dihydro-1H-inden-2-yloxy)-1-ethyl-4-oxo-1,8-naphthyridine-3-carboxylate;methane;hydrofluoride
CID 163666721

Frequently Asked Questions

What is the IUPAC name of ethyl 1-ethyl-7-methyl-4-oxo-6-phenyl-1,8-naphthyridine-3-carboxylate?
The IUPAC name of ethyl 1-ethyl-7-methyl-4-oxo-6-phenyl-1,8-naphthyridine-3-carboxylate (CID 15414746) is ethyl 1-ethyl-7-methyl-4-oxo-6-phenyl-1,8-naphthyridine-3-carboxylate.
What is the SMILES notation for ethyl 1-ethyl-7-methyl-4-oxo-6-phenyl-1,8-naphthyridine-3-carboxylate?
The canonical SMILES for ethyl 1-ethyl-7-methyl-4-oxo-6-phenyl-1,8-naphthyridine-3-carboxylate is CCOC(=O)c1cn(CC)c2nc(C)c(-c3ccccc3)cc2c1=O.
What is the InChIKey of ethyl 1-ethyl-7-methyl-4-oxo-6-phenyl-1,8-naphthyridine-3-carboxylate?
The InChIKey is BLGYULYPCIQCPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3/c1-4-22-12-17(20(24)25-5-2)18(23)16-11-15(13(3)21-19(16)22)14-9-7-6-8-10-14/h6-12H,4-5H2,1-3H3.
What are the key properties of ethyl 1-ethyl-7-methyl-4-oxo-6-phenyl-1,8-naphthyridine-3-carboxylate?
ethyl 1-ethyl-7-methyl-4-oxo-6-phenyl-1,8-naphthyridine-3-carboxylate has a molecular weight of 336.39 g/mol, XLogP of 3.57, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-ethyl-7-methyl-4-oxo-6-phenyl-1,8-naphthyridine-3-carboxylate is sourced from PubChem (CID 15414746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).