ethyl 2-methyl-5-oxo-6-(2-phenylethyl)-1,6-naphthyridine-3-carboxylate

C20H20N2O3 — CID 14666346

IUPACethyl 2-methyl-5-oxo-6-(2-phenylethyl)-1,6-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1cc2c(=O)n(CCc3ccccc3)ccc2nc1C
InChIInChI=1S/C20H20N2O3/c1-3-25-20(24)16-13-17-18(21-14(16)2)10-12-22(19(17)23)11-9-15-7-5-4-6-8-15/h4-8,10,12-13H,3,9,11H2,1-2H3
InChIKeyBTJCCTKODCJJSS-UHFFFAOYSA-N
MW336.39 g/mol
LogP3.12
Rot. Bonds5

About ethyl 2-methyl-5-oxo-6-(2-phenylethyl)-1,6-naphthyridine-3-carboxylate

ethyl 2-methyl-5-oxo-6-(2-phenylethyl)-1,6-naphthyridine-3-carboxylate (PubChem CID 14666346) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is ethyl 2-methyl-5-oxo-6-(2-phenylethyl)-1,6-naphthyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-methyl-5-oxo-6-(2-phenylethyl)-1,6-naphthyridine-3-carboxylate
PubChem CID14666346
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC Nameethyl 2-methyl-5-oxo-6-(2-phenylethyl)-1,6-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1cc2c(=O)n(CCc3ccccc3)ccc2nc1C
InChIInChI=1S/C20H20N2O3/c1-3-25-20(24)16-13-17-18(21-14(16)2)10-12-22(19(17)23)11-9-15-7-5-4-6-8-15/h4-8,10,12-13H,3,9,11H2,1-2H3
InChIKeyBTJCCTKODCJJSS-UHFFFAOYSA-N
XLogP3.12
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 6-[(3,4-difluorophenyl)methyl]-2-methyl-5-oxo-1,6-naphthyridine-3-carboxylate
CID 169248811
[5-[(3-ethoxycarbonyl-2-methyl-5-oxo-1,6-naphthyridin-6-yl)methyl]-3-pyridinyl]methyl 2-methyl-5-oxo-6-(pyridin-3-ylmethyl)-1,6-naphthyridine-3-carboxylate
CID 169248834
ethyl 6-(2-aminophenyl)-2-methyl-5-oxo-1,6-naphthyridine-3-carboxylate
CID 639609
methyl 6-(2-hydroxyethyl)-2-methyl-5-oxo-1,6-naphthyridine-3-carboxylate
CID 43864511
methyl 6-(2-methoxyethyl)-2-methyl-5-oxo-1,6-naphthyridine-3-carboxylate
CID 20855188
ethyl 6-(4-hydroxyphenyl)-2-methyl-5-oxo-1,6-naphthyridine-3-carboxylate
CID 14666330
ethyl 3-[[6-(2-methoxyethyl)-2-methyl-5-oxo-1,6-naphthyridine-3-carbonyl]amino]benzoate
CID 46339917
6-(2-methoxyethyl)-N-(2-methoxyphenyl)-2-methyl-5-oxo-1,6-naphthyridine-3-carboxamide
CID 46339967
ethyl 5-methyl-6,10,12,17-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2,4,6,8,11(16),12,14-octaene-4-carboxylate
CID 14867812
ethyl 1-benzyl-7-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxylate
CID 66490706
6-benzyl-N-(4-fluorophenyl)-2-methyl-5-oxo-1,6-naphthyridine-3-carboxamide
CID 46339999
6-(2-methoxyethyl)-2-methyl-N-(3-methylphenyl)-5-oxo-1,6-naphthyridine-3-carboxamide
CID 46339963

Frequently Asked Questions

What is the IUPAC name of ethyl 2-methyl-5-oxo-6-(2-phenylethyl)-1,6-naphthyridine-3-carboxylate?
The IUPAC name of ethyl 2-methyl-5-oxo-6-(2-phenylethyl)-1,6-naphthyridine-3-carboxylate (CID 14666346) is ethyl 2-methyl-5-oxo-6-(2-phenylethyl)-1,6-naphthyridine-3-carboxylate.
What is the SMILES notation for ethyl 2-methyl-5-oxo-6-(2-phenylethyl)-1,6-naphthyridine-3-carboxylate?
The canonical SMILES for ethyl 2-methyl-5-oxo-6-(2-phenylethyl)-1,6-naphthyridine-3-carboxylate is CCOC(=O)c1cc2c(=O)n(CCc3ccccc3)ccc2nc1C.
What is the InChIKey of ethyl 2-methyl-5-oxo-6-(2-phenylethyl)-1,6-naphthyridine-3-carboxylate?
The InChIKey is BTJCCTKODCJJSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3/c1-3-25-20(24)16-13-17-18(21-14(16)2)10-12-22(19(17)23)11-9-15-7-5-4-6-8-15/h4-8,10,12-13H,3,9,11H2,1-2H3.
What are the key properties of ethyl 2-methyl-5-oxo-6-(2-phenylethyl)-1,6-naphthyridine-3-carboxylate?
ethyl 2-methyl-5-oxo-6-(2-phenylethyl)-1,6-naphthyridine-3-carboxylate has a molecular weight of 336.39 g/mol, XLogP of 3.12, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methyl-5-oxo-6-(2-phenylethyl)-1,6-naphthyridine-3-carboxylate is sourced from PubChem (CID 14666346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).