ethyl 6-oxo-5H-benzo[c][1,7]naphthyridine-2-carboxylate

C15H12N2O3 — CID 4713457

IUPACethyl 6-oxo-5H-benzo[c][1,7]naphthyridine-2-carboxylate
SMILESCCOC(=O)c1cc2c(cn1)[nH]c(=O)c1ccccc12
InChIInChI=1S/C15H12N2O3/c1-2-20-15(19)12-7-11-9-5-3-4-6-10(9)14(18)17-13(11)8-16-12/h3-8H,2H2,1H3,(H,17,18)
InChIKeyOUPZCGOUCCZYSN-UHFFFAOYSA-N
MW268.27 g/mol
LogP2.25
Rot. Bonds2

About ethyl 6-oxo-5H-benzo[c][1,7]naphthyridine-2-carboxylate

ethyl 6-oxo-5H-benzo[c][1,7]naphthyridine-2-carboxylate (PubChem CID 4713457) has the molecular formula C15H12N2O3 and a molecular weight of 268.27 g/mol. Its IUPAC name is ethyl 6-oxo-5H-benzo[c][1,7]naphthyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 6-oxo-5H-benzo[c][1,7]naphthyridine-2-carboxylate
PubChem CID4713457
Molecular FormulaC15H12N2O3
Molecular Weight268.27 g/mol
Exact Mass268.08
IUPAC Nameethyl 6-oxo-5H-benzo[c][1,7]naphthyridine-2-carboxylate
SMILESCCOC(=O)c1cc2c(cn1)[nH]c(=O)c1ccccc12
InChIInChI=1S/C15H12N2O3/c1-2-20-15(19)12-7-11-9-5-3-4-6-10(9)14(18)17-13(11)8-16-12/h3-8H,2H2,1H3,(H,17,18)
InChIKeyOUPZCGOUCCZYSN-UHFFFAOYSA-N
XLogP2.25
TPSA72.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 ethyl 6-oxo-5H-benzo[c][1,7]naphthyridine-2-carboxylate?
The IUPAC name of ethyl 6-oxo-5H-benzo[c][1,7]naphthyridine-2-carboxylate (CID 4713457) is ethyl 6-oxo-5H-benzo[c][1,7]naphthyridine-2-carboxylate.
What is the SMILES notation for ethyl 6-oxo-5H-benzo[c][1,7]naphthyridine-2-carboxylate?
The canonical SMILES for ethyl 6-oxo-5H-benzo[c][1,7]naphthyridine-2-carboxylate is CCOC(=O)c1cc2c(cn1)[nH]c(=O)c1ccccc12.
What is the InChIKey of ethyl 6-oxo-5H-benzo[c][1,7]naphthyridine-2-carboxylate?
The InChIKey is OUPZCGOUCCZYSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O3/c1-2-20-15(19)12-7-11-9-5-3-4-6-10(9)14(18)17-13(11)8-16-12/h3-8H,2H2,1H3,(H,17,18).
What are the key properties of ethyl 6-oxo-5H-benzo[c][1,7]naphthyridine-2-carboxylate?
ethyl 6-oxo-5H-benzo[c][1,7]naphthyridine-2-carboxylate has a molecular weight of 268.27 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-oxo-5H-benzo[c][1,7]naphthyridine-2-carboxylate is sourced from PubChem (CID 4713457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).