methyl 5-hydroxy-8-methyl-2-phenoxy-1,7-naphthyridine-6-carboxylate

C17H14N2O4 — CID 137285329

IUPACmethyl 5-hydroxy-8-methyl-2-phenoxy-1,7-naphthyridine-6-carboxylate
SMILESCOC(=O)c1nc(C)c2nc(Oc3ccccc3)ccc2c1O
InChIInChI=1S/C17H14N2O4/c1-10-14-12(16(20)15(18-10)17(21)22-2)8-9-13(19-14)23-11-6-4-3-5-7-11/h3-9,20H,1-2H3
InChIKeyJIPULWDMLKDFOY-UHFFFAOYSA-N
MW310.31 g/mol
LogP3.22
Rot. Bonds3

About methyl 5-hydroxy-8-methyl-2-phenoxy-1,7-naphthyridine-6-carboxylate

methyl 5-hydroxy-8-methyl-2-phenoxy-1,7-naphthyridine-6-carboxylate (PubChem CID 137285329) has the molecular formula C17H14N2O4 and a molecular weight of 310.31 g/mol. Its IUPAC name is methyl 5-hydroxy-8-methyl-2-phenoxy-1,7-naphthyridine-6-carboxylate.

Molecular Properties

Compound Namemethyl 5-hydroxy-8-methyl-2-phenoxy-1,7-naphthyridine-6-carboxylate
PubChem CID137285329
Molecular FormulaC17H14N2O4
Molecular Weight310.31 g/mol
Exact Mass310.10
IUPAC Namemethyl 5-hydroxy-8-methyl-2-phenoxy-1,7-naphthyridine-6-carboxylate
SMILESCOC(=O)c1nc(C)c2nc(Oc3ccccc3)ccc2c1O
InChIInChI=1S/C17H14N2O4/c1-10-14-12(16(20)15(18-10)17(21)22-2)8-9-13(19-14)23-11-6-4-3-5-7-11/h3-9,20H,1-2H3
InChIKeyJIPULWDMLKDFOY-UHFFFAOYSA-N
XLogP3.22
TPSA81.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.31
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 5-hydroxy-8-methyl-2-phenoxy-1,7-naphthyridine-6-carboxylate?
The IUPAC name of methyl 5-hydroxy-8-methyl-2-phenoxy-1,7-naphthyridine-6-carboxylate (CID 137285329) is methyl 5-hydroxy-8-methyl-2-phenoxy-1,7-naphthyridine-6-carboxylate.
What is the SMILES notation for methyl 5-hydroxy-8-methyl-2-phenoxy-1,7-naphthyridine-6-carboxylate?
The canonical SMILES for methyl 5-hydroxy-8-methyl-2-phenoxy-1,7-naphthyridine-6-carboxylate is COC(=O)c1nc(C)c2nc(Oc3ccccc3)ccc2c1O.
What is the InChIKey of methyl 5-hydroxy-8-methyl-2-phenoxy-1,7-naphthyridine-6-carboxylate?
The InChIKey is JIPULWDMLKDFOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O4/c1-10-14-12(16(20)15(18-10)17(21)22-2)8-9-13(19-14)23-11-6-4-3-5-7-11/h3-9,20H,1-2H3.
What are the key properties of methyl 5-hydroxy-8-methyl-2-phenoxy-1,7-naphthyridine-6-carboxylate?
methyl 5-hydroxy-8-methyl-2-phenoxy-1,7-naphthyridine-6-carboxylate has a molecular weight of 310.31 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-hydroxy-8-methyl-2-phenoxy-1,7-naphthyridine-6-carboxylate is sourced from PubChem (CID 137285329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).