methyl 4-phenylmethoxy-2,6-naphthyridine-3-carboxylate

C17H14N2O3 — CID 176830175

IUPACmethyl 4-phenylmethoxy-2,6-naphthyridine-3-carboxylate
SMILESCOC(=O)c1ncc2ccncc2c1OCc1ccccc1
InChIInChI=1S/C17H14N2O3/c1-21-17(20)15-16(22-11-12-5-3-2-4-6-12)14-10-18-8-7-13(14)9-19-15/h2-10H,11H2,1H3
InChIKeyRSTBUNJIVDBSDU-UHFFFAOYSA-N
MW294.31 g/mol
LogP3.00
Rot. Bonds4

About methyl 4-phenylmethoxy-2,6-naphthyridine-3-carboxylate

methyl 4-phenylmethoxy-2,6-naphthyridine-3-carboxylate (PubChem CID 176830175) has the molecular formula C17H14N2O3 and a molecular weight of 294.31 g/mol. Its IUPAC name is methyl 4-phenylmethoxy-2,6-naphthyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-phenylmethoxy-2,6-naphthyridine-3-carboxylate
PubChem CID176830175
Molecular FormulaC17H14N2O3
Molecular Weight294.31 g/mol
Exact Mass294.10
IUPAC Namemethyl 4-phenylmethoxy-2,6-naphthyridine-3-carboxylate
SMILESCOC(=O)c1ncc2ccncc2c1OCc1ccccc1
InChIInChI=1S/C17H14N2O3/c1-21-17(20)15-16(22-11-12-5-3-2-4-6-12)14-10-18-8-7-13(14)9-19-15/h2-10H,11H2,1H3
InChIKeyRSTBUNJIVDBSDU-UHFFFAOYSA-N
XLogP3.00
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethane;methyl 7-phenylmethoxyfuro[3,2-c]pyridine-6-carboxylate
CID 177153407
methyl 8-ethyl-4-phenylmethoxyisoquinoline-3-carboxylate
CID 177153579
methyl 4-[(E)-2-formyloxyethenyl]-3-phenylmethoxypyridine-2-carboxylate
CID 140830444
methyl 6-methyl-3-phenylmethoxypyridine-2-carboxylate
CID 145241727
methyl 3-(pyridin-4-ylmethoxy)pyridine-2-carboxylate
CID 59152590
methyl 3-(isoquinolin-5-yloxymethyl)benzoate
CID 86198965
methyl 2-cyclopropyl-6-oxo-5-phenylmethoxy-1H-pyrimidine-4-carboxylate
CID 137027779
methyl 5-phenylmethoxypyridine-3-carboxylate
CID 57421820
methyl 4-(3-phenylpropoxy)pyridine-3-carboxylate
CID 132587685
dimethyl 3-[(4-fluorophenyl)methyl]-8-phenylmethoxy-1,6-naphthyridine-5,7-dicarboxylate
CID 59696253
methyl 1-amino-8-bromo-4-phenylmethoxyisoquinoline-3-carboxylate;2-methylprop-1-ene
CID 177154227
methyl 4-[(3-fluorophenyl)methyl]isoquinoline-3-carboxylate
CID 67248979

Frequently Asked Questions

What is the IUPAC name of methyl 4-phenylmethoxy-2,6-naphthyridine-3-carboxylate?
The IUPAC name of methyl 4-phenylmethoxy-2,6-naphthyridine-3-carboxylate (CID 176830175) is methyl 4-phenylmethoxy-2,6-naphthyridine-3-carboxylate.
What is the SMILES notation for methyl 4-phenylmethoxy-2,6-naphthyridine-3-carboxylate?
The canonical SMILES for methyl 4-phenylmethoxy-2,6-naphthyridine-3-carboxylate is COC(=O)c1ncc2ccncc2c1OCc1ccccc1.
What is the InChIKey of methyl 4-phenylmethoxy-2,6-naphthyridine-3-carboxylate?
The InChIKey is RSTBUNJIVDBSDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O3/c1-21-17(20)15-16(22-11-12-5-3-2-4-6-12)14-10-18-8-7-13(14)9-19-15/h2-10H,11H2,1H3.
What are the key properties of methyl 4-phenylmethoxy-2,6-naphthyridine-3-carboxylate?
methyl 4-phenylmethoxy-2,6-naphthyridine-3-carboxylate has a molecular weight of 294.31 g/mol, XLogP of 3.00, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-phenylmethoxy-2,6-naphthyridine-3-carboxylate is sourced from PubChem (CID 176830175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).