ethyl 7,8-difluoro-1-oxo-4H-benzo[f][1,7]naphthyridine-2-carboxylate

C15H10F2N2O3 — CID 18523347

IUPACethyl 7,8-difluoro-1-oxo-4H-benzo[f][1,7]naphthyridine-2-carboxylate
SMILESCCOC(=O)c1c[nH]c2cnc3c(F)c(F)ccc3c2c1=O
InChIInChI=1S/C15H10F2N2O3/c1-2-22-15(21)8-5-18-10-6-19-13-7(11(10)14(8)20)3-4-9(16)12(13)17/h3-6H,2H2,1H3,(H,18,20)
InChIKeyFWMKEXJWKVIXCU-UHFFFAOYSA-N
MW304.25 g/mol
LogP2.53
Rot. Bonds2

About ethyl 7,8-difluoro-1-oxo-4H-benzo[f][1,7]naphthyridine-2-carboxylate

ethyl 7,8-difluoro-1-oxo-4H-benzo[f][1,7]naphthyridine-2-carboxylate (PubChem CID 18523347) has the molecular formula C15H10F2N2O3 and a molecular weight of 304.25 g/mol. Its IUPAC name is ethyl 7,8-difluoro-1-oxo-4H-benzo[f][1,7]naphthyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 7,8-difluoro-1-oxo-4H-benzo[f][1,7]naphthyridine-2-carboxylate
PubChem CID18523347
Molecular FormulaC15H10F2N2O3
Molecular Weight304.25 g/mol
Exact Mass304.07
IUPAC Nameethyl 7,8-difluoro-1-oxo-4H-benzo[f][1,7]naphthyridine-2-carboxylate
SMILESCCOC(=O)c1c[nH]c2cnc3c(F)c(F)ccc3c2c1=O
InChIInChI=1S/C15H10F2N2O3/c1-2-22-15(21)8-5-18-10-6-19-13-7(11(10)14(8)20)3-4-9(16)12(13)17/h3-6H,2H2,1H3,(H,18,20)
InChIKeyFWMKEXJWKVIXCU-UHFFFAOYSA-N
XLogP2.53
TPSA72.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.25
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze ethyl 7,8-difluoro-1-oxo-4H-benzo[f][1,7]naphthyridine-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 5-chloro-6-fluoro-4-oxo-1H-quinoline-3-carboxylate
CID 14519549
ethyl 5-cyano-6-fluoro-4-oxo-1H-quinoline-3-carboxylate
CID 2727486
CID 89301109
CID 89301109
ethyl 6-fluoro-7-methyl-4-oxo-1H-quinoline-3-carboxylate
CID 12733854
ethyl 8-oxo-5H-pyrido[2,3-b]pyrazine-7-carboxylate
CID 16740433
ethyl 4-oxo-7-tetradecoxy-1H-quinoline-3-carboxylate
CID 154101984
ethyl 4-oxo-6-(trifluoromethylamino)-1H-quinoline-3-carboxylate
CID 162518104
ethyl 6-[(2-fluorophenyl)methyl]-4-oxo-1H-quinoline-3-carboxylate
CID 118578466
ethyl 4-chloro-5,8-difluoroquinoline-3-carboxylate
CID 17040076
ethyl 6-ethoxy-4-oxo-1H-1,8-naphthyridine-3-carboxylate
CID 19374333
ethyl 8-bromo-4-oxo-1H-1,5-naphthyridine-3-carboxylate
CID 123135674
ethyl 7-fluoro-4-hydrazinyl-8-iodoquinoline-3-carboxylate
CID 114261072

Frequently Asked Questions

What is the IUPAC name of ethyl 7,8-difluoro-1-oxo-4H-benzo[f][1,7]naphthyridine-2-carboxylate?
The IUPAC name of ethyl 7,8-difluoro-1-oxo-4H-benzo[f][1,7]naphthyridine-2-carboxylate (CID 18523347) is ethyl 7,8-difluoro-1-oxo-4H-benzo[f][1,7]naphthyridine-2-carboxylate.
What is the SMILES notation for ethyl 7,8-difluoro-1-oxo-4H-benzo[f][1,7]naphthyridine-2-carboxylate?
The canonical SMILES for ethyl 7,8-difluoro-1-oxo-4H-benzo[f][1,7]naphthyridine-2-carboxylate is CCOC(=O)c1c[nH]c2cnc3c(F)c(F)ccc3c2c1=O.
What is the InChIKey of ethyl 7,8-difluoro-1-oxo-4H-benzo[f][1,7]naphthyridine-2-carboxylate?
The InChIKey is FWMKEXJWKVIXCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F2N2O3/c1-2-22-15(21)8-5-18-10-6-19-13-7(11(10)14(8)20)3-4-9(16)12(13)17/h3-6H,2H2,1H3,(H,18,20).
What are the key properties of ethyl 7,8-difluoro-1-oxo-4H-benzo[f][1,7]naphthyridine-2-carboxylate?
ethyl 7,8-difluoro-1-oxo-4H-benzo[f][1,7]naphthyridine-2-carboxylate has a molecular weight of 304.25 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7,8-difluoro-1-oxo-4H-benzo[f][1,7]naphthyridine-2-carboxylate is sourced from PubChem (CID 18523347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).