1-benzyl-8-hydroxy-5-iodo-2-oxo-1,6-naphthyridine-7-carboxylic acid;methoxymethane

C18H17IN2O5 — CID 174793630

IUPAC1-benzyl-8-hydroxy-5-iodo-2-oxo-1,6-naphthyridine-7-carboxylic acid;methoxymethane
SMILESCOC.O=C(O)c1nc(I)c2ccc(=O)n(Cc3ccccc3)c2c1O
InChIInChI=1S/C16H11IN2O4.C2H6O/c17-15-10-6-7-11(20)19(8-9-4-2-1-3-5-9)13(10)14(21)12(18-15)16(22)23;1-3-2/h1-7,21H,8H2,(H,22,23);1-2H3
InChIKeyJHTXTQJIPMVFBO-UHFFFAOYSA-N
MW468.25 g/mol
LogP2.72
Rot. Bonds3

About 1-benzyl-8-hydroxy-5-iodo-2-oxo-1,6-naphthyridine-7-carboxylic acid;methoxymethane

1-benzyl-8-hydroxy-5-iodo-2-oxo-1,6-naphthyridine-7-carboxylic acid;methoxymethane (PubChem CID 174793630) has the molecular formula C18H17IN2O5 and a molecular weight of 468.25 g/mol. Its IUPAC name is 1-benzyl-8-hydroxy-5-iodo-2-oxo-1,6-naphthyridine-7-carboxylic acid;methoxymethane.

Molecular Properties

Compound Name1-benzyl-8-hydroxy-5-iodo-2-oxo-1,6-naphthyridine-7-carboxylic acid;methoxymethane
PubChem CID174793630
Molecular FormulaC18H17IN2O5
Molecular Weight468.25 g/mol
Exact Mass468.02
IUPAC Name1-benzyl-8-hydroxy-5-iodo-2-oxo-1,6-naphthyridine-7-carboxylic acid;methoxymethane
SMILESCOC.O=C(O)c1nc(I)c2ccc(=O)n(Cc3ccccc3)c2c1O
InChIInChI=1S/C16H11IN2O4.C2H6O/c17-15-10-6-7-11(20)19(8-9-4-2-1-3-5-9)13(10)14(21)12(18-15)16(22)23;1-3-2/h1-7,21H,8H2,(H,22,23);1-2H3
InChIKeyJHTXTQJIPMVFBO-UHFFFAOYSA-N
XLogP2.72
TPSA101.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.25
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-8-hydroxy-5-iodo-2-oxo-1,6-naphthyridine-7-carboxylic acid;methoxymethane?
The IUPAC name of 1-benzyl-8-hydroxy-5-iodo-2-oxo-1,6-naphthyridine-7-carboxylic acid;methoxymethane (CID 174793630) is 1-benzyl-8-hydroxy-5-iodo-2-oxo-1,6-naphthyridine-7-carboxylic acid;methoxymethane.
What is the SMILES notation for 1-benzyl-8-hydroxy-5-iodo-2-oxo-1,6-naphthyridine-7-carboxylic acid;methoxymethane?
The canonical SMILES for 1-benzyl-8-hydroxy-5-iodo-2-oxo-1,6-naphthyridine-7-carboxylic acid;methoxymethane is COC.O=C(O)c1nc(I)c2ccc(=O)n(Cc3ccccc3)c2c1O.
What is the InChIKey of 1-benzyl-8-hydroxy-5-iodo-2-oxo-1,6-naphthyridine-7-carboxylic acid;methoxymethane?
The InChIKey is JHTXTQJIPMVFBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11IN2O4.C2H6O/c17-15-10-6-7-11(20)19(8-9-4-2-1-3-5-9)13(10)14(21)12(18-15)16(22)23;1-3-2/h1-7,21H,8H2,(H,22,23);1-2H3.
What are the key properties of 1-benzyl-8-hydroxy-5-iodo-2-oxo-1,6-naphthyridine-7-carboxylic acid;methoxymethane?
1-benzyl-8-hydroxy-5-iodo-2-oxo-1,6-naphthyridine-7-carboxylic acid;methoxymethane has a molecular weight of 468.25 g/mol, XLogP of 2.72, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-8-hydroxy-5-iodo-2-oxo-1,6-naphthyridine-7-carboxylic acid;methoxymethane is sourced from PubChem (CID 174793630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).