methyl 6-(4-fluorophenyl)-2-methyl-5-oxo-1,6-naphthyridine-3-carboxylate

C17H13FN2O3 — CID 25252152

IUPACmethyl 6-(4-fluorophenyl)-2-methyl-5-oxo-1,6-naphthyridine-3-carboxylate
SMILESCOC(=O)c1cc2c(=O)n(-c3ccc(F)cc3)ccc2nc1C
InChIInChI=1S/C17H13FN2O3/c1-10-13(17(22)23-2)9-14-15(19-10)7-8-20(16(14)21)12-5-3-11(18)4-6-12/h3-9H,1-2H3
InChIKeyYWAWESYEBADIKG-UHFFFAOYSA-N
MW312.30 g/mol
LogP2.62
Rot. Bonds2

About methyl 6-(4-fluorophenyl)-2-methyl-5-oxo-1,6-naphthyridine-3-carboxylate

methyl 6-(4-fluorophenyl)-2-methyl-5-oxo-1,6-naphthyridine-3-carboxylate (PubChem CID 25252152) has the molecular formula C17H13FN2O3 and a molecular weight of 312.30 g/mol. Its IUPAC name is methyl 6-(4-fluorophenyl)-2-methyl-5-oxo-1,6-naphthyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-(4-fluorophenyl)-2-methyl-5-oxo-1,6-naphthyridine-3-carboxylate
PubChem CID25252152
Molecular FormulaC17H13FN2O3
Molecular Weight312.30 g/mol
Exact Mass312.09
IUPAC Namemethyl 6-(4-fluorophenyl)-2-methyl-5-oxo-1,6-naphthyridine-3-carboxylate
SMILESCOC(=O)c1cc2c(=O)n(-c3ccc(F)cc3)ccc2nc1C
InChIInChI=1S/C17H13FN2O3/c1-10-13(17(22)23-2)9-14-15(19-10)7-8-20(16(14)21)12-5-3-11(18)4-6-12/h3-9H,1-2H3
InChIKeyYWAWESYEBADIKG-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

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Frequently Asked Questions

What is the IUPAC name of methyl 6-(4-fluorophenyl)-2-methyl-5-oxo-1,6-naphthyridine-3-carboxylate?
The IUPAC name of methyl 6-(4-fluorophenyl)-2-methyl-5-oxo-1,6-naphthyridine-3-carboxylate (CID 25252152) is methyl 6-(4-fluorophenyl)-2-methyl-5-oxo-1,6-naphthyridine-3-carboxylate.
What is the SMILES notation for methyl 6-(4-fluorophenyl)-2-methyl-5-oxo-1,6-naphthyridine-3-carboxylate?
The canonical SMILES for methyl 6-(4-fluorophenyl)-2-methyl-5-oxo-1,6-naphthyridine-3-carboxylate is COC(=O)c1cc2c(=O)n(-c3ccc(F)cc3)ccc2nc1C.
What is the InChIKey of methyl 6-(4-fluorophenyl)-2-methyl-5-oxo-1,6-naphthyridine-3-carboxylate?
The InChIKey is YWAWESYEBADIKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN2O3/c1-10-13(17(22)23-2)9-14-15(19-10)7-8-20(16(14)21)12-5-3-11(18)4-6-12/h3-9H,1-2H3.
What are the key properties of methyl 6-(4-fluorophenyl)-2-methyl-5-oxo-1,6-naphthyridine-3-carboxylate?
methyl 6-(4-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-(4-fluorophenyl)-2-methyl-5-oxo-1,6-naphthyridine-3-carboxylate is sourced from PubChem (CID 25252152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).