methyl 6-(2-fluorophenyl)-2-methyl-5-oxo-1,6-naphthyridine-3-carboxylate

C17H13FN2O3 — CID 42582004

IUPACmethyl 6-(2-fluorophenyl)-2-methyl-5-oxo-1,6-naphthyridine-3-carboxylate
SMILESCOC(=O)c1cc2c(=O)n(-c3ccccc3F)ccc2nc1C
InChIInChI=1S/C17H13FN2O3/c1-10-11(17(22)23-2)9-12-14(19-10)7-8-20(16(12)21)15-6-4-3-5-13(15)18/h3-9H,1-2H3
InChIKeyOKDVUPDPBVKLLE-UHFFFAOYSA-N
MW312.30 g/mol
LogP2.62
Rot. Bonds2

About methyl 6-(2-fluorophenyl)-2-methyl-5-oxo-1,6-naphthyridine-3-carboxylate

methyl 6-(2-fluorophenyl)-2-methyl-5-oxo-1,6-naphthyridine-3-carboxylate (PubChem CID 42582004) has the molecular formula C17H13FN2O3 and a molecular weight of 312.30 g/mol. Its IUPAC name is methyl 6-(2-fluorophenyl)-2-methyl-5-oxo-1,6-naphthyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-(2-fluorophenyl)-2-methyl-5-oxo-1,6-naphthyridine-3-carboxylate
PubChem CID42582004
Molecular FormulaC17H13FN2O3
Molecular Weight312.30 g/mol
Exact Mass312.09
IUPAC Namemethyl 6-(2-fluorophenyl)-2-methyl-5-oxo-1,6-naphthyridine-3-carboxylate
SMILESCOC(=O)c1cc2c(=O)n(-c3ccccc3F)ccc2nc1C
InChIInChI=1S/C17H13FN2O3/c1-10-11(17(22)23-2)9-12-14(19-10)7-8-20(16(12)21)15-6-4-3-5-13(15)18/h3-9H,1-2H3
InChIKeyOKDVUPDPBVKLLE-UHFFFAOYSA-N
XLogP2.62
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.30
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 6-(2-fluorophenyl)-2-methyl-5-oxo-1,6-naphthyridine-3-carboxylate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 6-(2-fluorophenyl)-2-methyl-5-oxo-1,6-naphthyridine-3-carboxylate?
The IUPAC name of methyl 6-(2-fluorophenyl)-2-methyl-5-oxo-1,6-naphthyridine-3-carboxylate (CID 42582004) is methyl 6-(2-fluorophenyl)-2-methyl-5-oxo-1,6-naphthyridine-3-carboxylate.
What is the SMILES notation for methyl 6-(2-fluorophenyl)-2-methyl-5-oxo-1,6-naphthyridine-3-carboxylate?
The canonical SMILES for methyl 6-(2-fluorophenyl)-2-methyl-5-oxo-1,6-naphthyridine-3-carboxylate is COC(=O)c1cc2c(=O)n(-c3ccccc3F)ccc2nc1C.
What is the InChIKey of methyl 6-(2-fluorophenyl)-2-methyl-5-oxo-1,6-naphthyridine-3-carboxylate?
The InChIKey is OKDVUPDPBVKLLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN2O3/c1-10-11(17(22)23-2)9-12-14(19-10)7-8-20(16(12)21)15-6-4-3-5-13(15)18/h3-9H,1-2H3.
What are the key properties of methyl 6-(2-fluorophenyl)-2-methyl-5-oxo-1,6-naphthyridine-3-carboxylate?
methyl 6-(2-fluorophenyl)-2-methyl-5-oxo-1,6-naphthyridine-3-carboxylate has a molecular weight of 312.30 g/mol, XLogP of 2.62, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(2-fluorophenyl)-2-methyl-5-oxo-1,6-naphthyridine-3-carboxylate is sourced from PubChem (CID 42582004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).