dimethyl 6-methyl-5-oxobenzo[f][1,7]naphthyridine-2,3-dicarboxylate

C17H14N2O5 — CID 14641121

IUPACdimethyl 6-methyl-5-oxobenzo[f][1,7]naphthyridine-2,3-dicarboxylate
SMILESCOC(=O)c1cc2c(nc1C(=O)OC)c(=O)n(C)c1ccccc21
InChIInChI=1S/C17H14N2O5/c1-19-12-7-5-4-6-9(12)10-8-11(16(21)23-2)14(17(22)24-3)18-13(10)15(19)20/h4-8H,1-3H3
InChIKeyDJGSWIKTIJKUPC-UHFFFAOYSA-N
MW326.31 g/mol
LogP1.66
Rot. Bonds2

About dimethyl 6-methyl-5-oxobenzo[f][1,7]naphthyridine-2,3-dicarboxylate

dimethyl 6-methyl-5-oxobenzo[f][1,7]naphthyridine-2,3-dicarboxylate (PubChem CID 14641121) has the molecular formula C17H14N2O5 and a molecular weight of 326.31 g/mol. Its IUPAC name is dimethyl 6-methyl-5-oxobenzo[f][1,7]naphthyridine-2,3-dicarboxylate.

Molecular Properties

Compound Namedimethyl 6-methyl-5-oxobenzo[f][1,7]naphthyridine-2,3-dicarboxylate
PubChem CID14641121
Molecular FormulaC17H14N2O5
Molecular Weight326.31 g/mol
Exact Mass326.09
IUPAC Namedimethyl 6-methyl-5-oxobenzo[f][1,7]naphthyridine-2,3-dicarboxylate
SMILESCOC(=O)c1cc2c(nc1C(=O)OC)c(=O)n(C)c1ccccc21
InChIInChI=1S/C17H14N2O5/c1-19-12-7-5-4-6-9(12)10-8-11(16(21)23-2)14(17(22)24-3)18-13(10)15(19)20/h4-8H,1-3H3
InChIKeyDJGSWIKTIJKUPC-UHFFFAOYSA-N
XLogP1.66
TPSA87.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.31
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of dimethyl 6-methyl-5-oxobenzo[f][1,7]naphthyridine-2,3-dicarboxylate?
The IUPAC name of dimethyl 6-methyl-5-oxobenzo[f][1,7]naphthyridine-2,3-dicarboxylate (CID 14641121) is dimethyl 6-methyl-5-oxobenzo[f][1,7]naphthyridine-2,3-dicarboxylate.
What is the SMILES notation for dimethyl 6-methyl-5-oxobenzo[f][1,7]naphthyridine-2,3-dicarboxylate?
The canonical SMILES for dimethyl 6-methyl-5-oxobenzo[f][1,7]naphthyridine-2,3-dicarboxylate is COC(=O)c1cc2c(nc1C(=O)OC)c(=O)n(C)c1ccccc21.
What is the InChIKey of dimethyl 6-methyl-5-oxobenzo[f][1,7]naphthyridine-2,3-dicarboxylate?
The InChIKey is DJGSWIKTIJKUPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O5/c1-19-12-7-5-4-6-9(12)10-8-11(16(21)23-2)14(17(22)24-3)18-13(10)15(19)20/h4-8H,1-3H3.
What are the key properties of dimethyl 6-methyl-5-oxobenzo[f][1,7]naphthyridine-2,3-dicarboxylate?
dimethyl 6-methyl-5-oxobenzo[f][1,7]naphthyridine-2,3-dicarboxylate has a molecular weight of 326.31 g/mol, XLogP of 1.66, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 6-methyl-5-oxobenzo[f][1,7]naphthyridine-2,3-dicarboxylate is sourced from PubChem (CID 14641121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).