(4-ethenylphenyl)methyl 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate

C21H20N2O3 — CID 20940875

IUPAC(4-ethenylphenyl)methyl 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate
SMILESC=Cc1ccc(COC(=O)c2cn(CC)c3nc(C)ccc3c2=O)cc1
InChIInChI=1S/C21H20N2O3/c1-4-15-7-9-16(10-8-15)13-26-21(25)18-12-23(5-2)20-17(19(18)24)11-6-14(3)22-20/h4,6-12H,1,5,13H2,2-3H3
InChIKeyZEFFXECLPUCWOJ-UHFFFAOYSA-N
MW348.40 g/mol
LogP3.72
Rot. Bonds5

About (4-ethenylphenyl)methyl 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate

(4-ethenylphenyl)methyl 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate (PubChem CID 20940875) has the molecular formula C21H20N2O3 and a molecular weight of 348.40 g/mol. Its IUPAC name is (4-ethenylphenyl)methyl 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate.

Molecular Properties

Compound Name(4-ethenylphenyl)methyl 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate
PubChem CID20940875
Molecular FormulaC21H20N2O3
Molecular Weight348.40 g/mol
Exact Mass348.15
IUPAC Name(4-ethenylphenyl)methyl 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate
SMILESC=Cc1ccc(COC(=O)c2cn(CC)c3nc(C)ccc3c2=O)cc1
InChIInChI=1S/C21H20N2O3/c1-4-15-7-9-16(10-8-15)13-26-21(25)18-12-23(5-2)20-17(19(18)24)11-6-14(3)22-20/h4,6-12H,1,5,13H2,2-3H3
InChIKeyZEFFXECLPUCWOJ-UHFFFAOYSA-N
XLogP3.72
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-ethenylphenyl)methyl 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate?
The IUPAC name of (4-ethenylphenyl)methyl 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate (CID 20940875) is (4-ethenylphenyl)methyl 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate.
What is the SMILES notation for (4-ethenylphenyl)methyl 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate?
The canonical SMILES for (4-ethenylphenyl)methyl 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate is C=Cc1ccc(COC(=O)c2cn(CC)c3nc(C)ccc3c2=O)cc1.
What is the InChIKey of (4-ethenylphenyl)methyl 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate?
The InChIKey is ZEFFXECLPUCWOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O3/c1-4-15-7-9-16(10-8-15)13-26-21(25)18-12-23(5-2)20-17(19(18)24)11-6-14(3)22-20/h4,6-12H,1,5,13H2,2-3H3.
What are the key properties of (4-ethenylphenyl)methyl 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate?
(4-ethenylphenyl)methyl 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate has a molecular weight of 348.40 g/mol, XLogP of 3.72, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethenylphenyl)methyl 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate is sourced from PubChem (CID 20940875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).