dimethyl 5-oxo-6H-benzo[f][1,7]naphthyridine-2,3-dicarboxylate

C16H12N2O5 — CID 14641112

IUPACdimethyl 5-oxo-6H-benzo[f][1,7]naphthyridine-2,3-dicarboxylate
SMILESCOC(=O)c1cc2c(nc1C(=O)OC)c(=O)[nH]c1ccccc12
InChIInChI=1S/C16H12N2O5/c1-22-15(20)10-7-9-8-5-3-4-6-11(8)17-14(19)12(9)18-13(10)16(21)23-2/h3-7H,1-2H3,(H,17,19)
InChIKeyZQAUEYUVRVBERK-UHFFFAOYSA-N
MW312.28 g/mol
LogP1.65
Rot. Bonds2

About dimethyl 5-oxo-6H-benzo[f][1,7]naphthyridine-2,3-dicarboxylate

dimethyl 5-oxo-6H-benzo[f][1,7]naphthyridine-2,3-dicarboxylate (PubChem CID 14641112) has the molecular formula C16H12N2O5 and a molecular weight of 312.28 g/mol. Its IUPAC name is dimethyl 5-oxo-6H-benzo[f][1,7]naphthyridine-2,3-dicarboxylate.

Molecular Properties

Compound Namedimethyl 5-oxo-6H-benzo[f][1,7]naphthyridine-2,3-dicarboxylate
PubChem CID14641112
Molecular FormulaC16H12N2O5
Molecular Weight312.28 g/mol
Exact Mass312.07
IUPAC Namedimethyl 5-oxo-6H-benzo[f][1,7]naphthyridine-2,3-dicarboxylate
SMILESCOC(=O)c1cc2c(nc1C(=O)OC)c(=O)[nH]c1ccccc12
InChIInChI=1S/C16H12N2O5/c1-22-15(20)10-7-9-8-5-3-4-6-11(8)17-14(19)12(9)18-13(10)16(21)23-2/h3-7H,1-2H3,(H,17,19)
InChIKeyZQAUEYUVRVBERK-UHFFFAOYSA-N
XLogP1.65
TPSA98.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.28
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

Dimethyl 4-methyl-6-morpholino-2,3-quinolinedicarboxylate
CID 1480701
Methyl 6-(7-amino-5,8-dioxoquinolin-2-yl)pyridine-2-carboxylate
CID 13891338
Dimethyl 4-methyl-2,3-quinolinedicarboxylate
CID 4314285
ethyl 6-oxo-5H-benzo[c][1,7]naphthyridine-2-carboxylate
CID 4713457
Dimethyl 3-acetamido-4-(2-bromophenyl)-5-methylpyridine-2,6-dicarboxylate
CID 21771692
Methyl 4-(quinoline-2-carbonylamino)benzoate
CID 7901210
Methyl 2-(quinoline-2-amido)benzoate
CID 18077160
Methyl 4-amino-3-(7-amino-5,8-dioxoquinolin-2-yl)benzoate
CID 13891345
Dimethyl 4-phenyl-6-quinolin-2-ylpyridine-2,5-dicarboxylate
CID 51049624
Dimethyl Quinoline-2,3-dicarboxylate
CID 11010215
Trimethyl quinoline-2,3,4-tricarboxylate
CID 101500890
Dimethyl 4-phenylquinoline-2,3-dicarboxylate
CID 258124

Frequently Asked Questions

What is the IUPAC name of dimethyl 5-oxo-6H-benzo[f][1,7]naphthyridine-2,3-dicarboxylate?
The IUPAC name of dimethyl 5-oxo-6H-benzo[f][1,7]naphthyridine-2,3-dicarboxylate (CID 14641112) is dimethyl 5-oxo-6H-benzo[f][1,7]naphthyridine-2,3-dicarboxylate.
What is the SMILES notation for dimethyl 5-oxo-6H-benzo[f][1,7]naphthyridine-2,3-dicarboxylate?
The canonical SMILES for dimethyl 5-oxo-6H-benzo[f][1,7]naphthyridine-2,3-dicarboxylate is COC(=O)c1cc2c(nc1C(=O)OC)c(=O)[nH]c1ccccc12.
What is the InChIKey of dimethyl 5-oxo-6H-benzo[f][1,7]naphthyridine-2,3-dicarboxylate?
The InChIKey is ZQAUEYUVRVBERK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O5/c1-22-15(20)10-7-9-8-5-3-4-6-11(8)17-14(19)12(9)18-13(10)16(21)23-2/h3-7H,1-2H3,(H,17,19).
What are the key properties of dimethyl 5-oxo-6H-benzo[f][1,7]naphthyridine-2,3-dicarboxylate?
dimethyl 5-oxo-6H-benzo[f][1,7]naphthyridine-2,3-dicarboxylate has a molecular weight of 312.28 g/mol, XLogP of 1.65, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 5-oxo-6H-benzo[f][1,7]naphthyridine-2,3-dicarboxylate is sourced from PubChem (CID 14641112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).