methyl 3-benzyl-8-hydroxy-1,6-naphthyridine-7-carboxylate

C17H14N2O3 — CID 59696527

IUPACmethyl 3-benzyl-8-hydroxy-1,6-naphthyridine-7-carboxylate
SMILESCOC(=O)c1ncc2cc(Cc3ccccc3)cnc2c1O
InChIInChI=1S/C17H14N2O3/c1-22-17(21)15-16(20)14-13(10-19-15)8-12(9-18-14)7-11-5-3-2-4-6-11/h2-6,8-10,20H,7H2,1H3
InChIKeyNDXPTBBEKDXNAD-UHFFFAOYSA-N
MW294.31 g/mol
LogP2.71
Rot. Bonds3

About methyl 3-benzyl-8-hydroxy-1,6-naphthyridine-7-carboxylate

methyl 3-benzyl-8-hydroxy-1,6-naphthyridine-7-carboxylate (PubChem CID 59696527) has the molecular formula C17H14N2O3 and a molecular weight of 294.31 g/mol. Its IUPAC name is methyl 3-benzyl-8-hydroxy-1,6-naphthyridine-7-carboxylate.

Molecular Properties

Compound Namemethyl 3-benzyl-8-hydroxy-1,6-naphthyridine-7-carboxylate
PubChem CID59696527
Molecular FormulaC17H14N2O3
Molecular Weight294.31 g/mol
Exact Mass294.10
IUPAC Namemethyl 3-benzyl-8-hydroxy-1,6-naphthyridine-7-carboxylate
SMILESCOC(=O)c1ncc2cc(Cc3ccccc3)cnc2c1O
InChIInChI=1S/C17H14N2O3/c1-22-17(21)15-16(20)14-13(10-19-15)8-12(9-18-14)7-11-5-3-2-4-6-11/h2-6,8-10,20H,7H2,1H3
InChIKeyNDXPTBBEKDXNAD-UHFFFAOYSA-N
XLogP2.71
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3,8-dihydroxy-1,6-naphthyridine-7-carboxylate
CID 59854199
(4-fluorophenyl)methyl 3-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxylate
CID 68856808
methyl 5-benzyl-3-[(2,2,2-trifluoroacetyl)amino]pyridine-2-carboxylate
CID 58882903
dimethyl 3-[(4-fluorophenyl)methyl]-8-phenylmethoxy-1,6-naphthyridine-5,7-dicarboxylate
CID 59696253
(1-acetylpiperidin-4-yl) 3-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxylate
CID 10093767
3-hydroxyfuro[3,4-b]pyridine-5,7-dione;bis(methyl 3,8-dihydroxy-1,6-naphthyridine-7-carboxylate)
CID 91164150
methyl 3-[(4-fluorophenyl)methyl]-8-hydroxy-5-(morpholine-4-carbonyl)-1,6-naphthyridine-7-carboxylate;methyl 3-[(4-fluorophenyl)methyl]-5-(morpholine-4-carbonyl)-8-phenylmethoxy-1,6-naphthyridine-7-carboxylate
CID 158130691
methyl 5-(dimethylsulfamoylamino)-3-[(4-fluorophenyl)methyl]-8-phenylmethoxy-1,6-naphthyridine-7-carboxylate
CID 59696409
methyl 5-(C-ethanimidoyloxycarbonimidoyl)-3-[(4-fluorophenyl)methyl]-8-phenylmethoxy-1,6-naphthyridine-7-carboxylate
CID 142873195
methyl 3-[(4-fluorophenyl)methyl]-8-hydroxy-5-(2-methoxy-2-oxoacetyl)quinoline-7-carboxylate
CID 68820578
methyl 4-[(3-fluorophenyl)methyl]isoquinoline-3-carboxylate
CID 67248979
methyl 5-benzyl-1,3-thiazole-4-carboxylate
CID 86069782

Frequently Asked Questions

What is the IUPAC name of methyl 3-benzyl-8-hydroxy-1,6-naphthyridine-7-carboxylate?
The IUPAC name of methyl 3-benzyl-8-hydroxy-1,6-naphthyridine-7-carboxylate (CID 59696527) is methyl 3-benzyl-8-hydroxy-1,6-naphthyridine-7-carboxylate.
What is the SMILES notation for methyl 3-benzyl-8-hydroxy-1,6-naphthyridine-7-carboxylate?
The canonical SMILES for methyl 3-benzyl-8-hydroxy-1,6-naphthyridine-7-carboxylate is COC(=O)c1ncc2cc(Cc3ccccc3)cnc2c1O.
What is the InChIKey of methyl 3-benzyl-8-hydroxy-1,6-naphthyridine-7-carboxylate?
The InChIKey is NDXPTBBEKDXNAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O3/c1-22-17(21)15-16(20)14-13(10-19-15)8-12(9-18-14)7-11-5-3-2-4-6-11/h2-6,8-10,20H,7H2,1H3.
What are the key properties of methyl 3-benzyl-8-hydroxy-1,6-naphthyridine-7-carboxylate?
methyl 3-benzyl-8-hydroxy-1,6-naphthyridine-7-carboxylate has a molecular weight of 294.31 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-benzyl-8-hydroxy-1,6-naphthyridine-7-carboxylate is sourced from PubChem (CID 59696527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).