ethyl 2-ethyl-8-methyl-5-oxo-4-phenyl-4,6-dihydro-3H-1,6-naphthyridine-3-carboxylate

C20H22N2O3 — CID 54263903

IUPACethyl 2-ethyl-8-methyl-5-oxo-4-phenyl-4,6-dihydro-3H-1,6-naphthyridine-3-carboxylate
SMILESCCOC(=O)C1C(CC)=Nc2c(C)c[nH]c(=O)c2C1c1ccccc1
InChIInChI=1S/C20H22N2O3/c1-4-14-16(20(24)25-5-2)15(13-9-7-6-8-10-13)17-18(22-14)12(3)11-21-19(17)23/h6-11,15-16H,4-5H2,1-3H3,(H,21,23)
InChIKeyRFKKOUQVLUQXJA-UHFFFAOYSA-N
MW338.41 g/mol
LogP3.49
Rot. Bonds4

About ethyl 2-ethyl-8-methyl-5-oxo-4-phenyl-4,6-dihydro-3H-1,6-naphthyridine-3-carboxylate

ethyl 2-ethyl-8-methyl-5-oxo-4-phenyl-4,6-dihydro-3H-1,6-naphthyridine-3-carboxylate (PubChem CID 54263903) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is ethyl 2-ethyl-8-methyl-5-oxo-4-phenyl-4,6-dihydro-3H-1,6-naphthyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-ethyl-8-methyl-5-oxo-4-phenyl-4,6-dihydro-3H-1,6-naphthyridine-3-carboxylate
PubChem CID54263903
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Nameethyl 2-ethyl-8-methyl-5-oxo-4-phenyl-4,6-dihydro-3H-1,6-naphthyridine-3-carboxylate
SMILESCCOC(=O)C1C(CC)=Nc2c(C)c[nH]c(=O)c2C1c1ccccc1
InChIInChI=1S/C20H22N2O3/c1-4-14-16(20(24)25-5-2)15(13-9-7-6-8-10-13)17-18(22-14)12(3)11-21-19(17)23/h6-11,15-16H,4-5H2,1-3H3,(H,21,23)
InChIKeyRFKKOUQVLUQXJA-UHFFFAOYSA-N
XLogP3.49
TPSA71.52 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 2-ethyl-8-methyl-5-oxo-4-phenyl-4,6-dihydro-3H-1,6-naphthyridine-3-carboxylate with MolForge

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Related Compounds

ethyl 7-(bromomethyl)-2,4-dioxo-1,5-diphenyl-5,6-dihydropyrido[2,3-d]pyrimidine-6-carboxylate
CID 91222311
ethyl (4S)-2-ethyl-4-(2-iodophenyl)-7,7-dimethyl-5-oxo-3,4,6,8-tetrahydroquinoline-3-carboxylate
CID 6991680
ethyl 4-ethyl-6-methyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylate
CID 123471883
diethyl (2R,3S,5R,6S)-4-oxo-2,6-diphenylpiperidine-3,5-dicarboxylate
CID 100887053
ethyl 3-methyl-2-oxo-4,5-diphenylcyclopent-3-ene-1-carboxylate
CID 73311477
ethyl (4S)-2-methyl-5-oxo-4-phenyl-3,4-dihydroindeno[1,2-b]pyridine-3-carboxylate
CID 6925639
ethyl 2-oxo-6-phenyl-4-(trifluoromethyl)-5,6-dihydro-1H-pyrimidine-5-carboxylate
CID 91071103
ethyl (3S,4S,5S)-2-oxo-4,5-diphenylpyrrolidine-3-carboxylate
CID 129438808
ethyl (4R)-2-ethyl-4-(2-iodophenyl)-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate
CID 6961201
trans-diethyl (1S,3S)-4,6-dioxo-2-phenylcyclohexane-1,3-dicarboxylate
CID 723569
ethyl (3R,4S)-5-oxo-4-phenylpyrrolidine-3-carboxylate
CID 142553766
ethyl (3S)-2-oxo-4-phenylpyrrolidine-3-carboxylate
CID 118038022

Frequently Asked Questions

What is the IUPAC name of ethyl 2-ethyl-8-methyl-5-oxo-4-phenyl-4,6-dihydro-3H-1,6-naphthyridine-3-carboxylate?
The IUPAC name of ethyl 2-ethyl-8-methyl-5-oxo-4-phenyl-4,6-dihydro-3H-1,6-naphthyridine-3-carboxylate (CID 54263903) is ethyl 2-ethyl-8-methyl-5-oxo-4-phenyl-4,6-dihydro-3H-1,6-naphthyridine-3-carboxylate.
What is the SMILES notation for ethyl 2-ethyl-8-methyl-5-oxo-4-phenyl-4,6-dihydro-3H-1,6-naphthyridine-3-carboxylate?
The canonical SMILES for ethyl 2-ethyl-8-methyl-5-oxo-4-phenyl-4,6-dihydro-3H-1,6-naphthyridine-3-carboxylate is CCOC(=O)C1C(CC)=Nc2c(C)c[nH]c(=O)c2C1c1ccccc1.
What is the InChIKey of ethyl 2-ethyl-8-methyl-5-oxo-4-phenyl-4,6-dihydro-3H-1,6-naphthyridine-3-carboxylate?
The InChIKey is RFKKOUQVLUQXJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-4-14-16(20(24)25-5-2)15(13-9-7-6-8-10-13)17-18(22-14)12(3)11-21-19(17)23/h6-11,15-16H,4-5H2,1-3H3,(H,21,23).
What are the key properties of ethyl 2-ethyl-8-methyl-5-oxo-4-phenyl-4,6-dihydro-3H-1,6-naphthyridine-3-carboxylate?
ethyl 2-ethyl-8-methyl-5-oxo-4-phenyl-4,6-dihydro-3H-1,6-naphthyridine-3-carboxylate has a molecular weight of 338.41 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-ethyl-8-methyl-5-oxo-4-phenyl-4,6-dihydro-3H-1,6-naphthyridine-3-carboxylate is sourced from PubChem (CID 54263903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).