[2-(1,8-naphthyridin-3-yl)-2-oxo-1-phenylmethoxyethyl] formate

C18H14N2O4 — CID 174791891

IUPAC[2-(1,8-naphthyridin-3-yl)-2-oxo-1-phenylmethoxyethyl] formate
SMILESO=COC(OCc1ccccc1)C(=O)c1cnc2ncccc2c1
InChIInChI=1S/C18H14N2O4/c21-12-24-18(23-11-13-5-2-1-3-6-13)16(22)15-9-14-7-4-8-19-17(14)20-10-15/h1-10,12,18H,11H2
InChIKeyQWDGFATXKJSGSL-UHFFFAOYSA-N
MW322.32 g/mol
LogP2.53
Rot. Bonds7

About [2-(1,8-naphthyridin-3-yl)-2-oxo-1-phenylmethoxyethyl] formate

[2-(1,8-naphthyridin-3-yl)-2-oxo-1-phenylmethoxyethyl] formate (PubChem CID 174791891) has the molecular formula C18H14N2O4 and a molecular weight of 322.32 g/mol. Its IUPAC name is [2-(1,8-naphthyridin-3-yl)-2-oxo-1-phenylmethoxyethyl] formate.

Molecular Properties

Compound Name[2-(1,8-naphthyridin-3-yl)-2-oxo-1-phenylmethoxyethyl] formate
PubChem CID174791891
Molecular FormulaC18H14N2O4
Molecular Weight322.32 g/mol
Exact Mass322.10
IUPAC Name[2-(1,8-naphthyridin-3-yl)-2-oxo-1-phenylmethoxyethyl] formate
SMILESO=COC(OCc1ccccc1)C(=O)c1cnc2ncccc2c1
InChIInChI=1S/C18H14N2O4/c21-12-24-18(23-11-13-5-2-1-3-6-13)16(22)15-9-14-7-4-8-19-17(14)20-10-15/h1-10,12,18H,11H2
InChIKeyQWDGFATXKJSGSL-UHFFFAOYSA-N
XLogP2.53
TPSA78.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.32
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-(1,8-naphthyridin-3-yl)-2-oxo-1-phenylmethoxyethyl] formate?
The IUPAC name of [2-(1,8-naphthyridin-3-yl)-2-oxo-1-phenylmethoxyethyl] formate (CID 174791891) is [2-(1,8-naphthyridin-3-yl)-2-oxo-1-phenylmethoxyethyl] formate.
What is the SMILES notation for [2-(1,8-naphthyridin-3-yl)-2-oxo-1-phenylmethoxyethyl] formate?
The canonical SMILES for [2-(1,8-naphthyridin-3-yl)-2-oxo-1-phenylmethoxyethyl] formate is O=COC(OCc1ccccc1)C(=O)c1cnc2ncccc2c1.
What is the InChIKey of [2-(1,8-naphthyridin-3-yl)-2-oxo-1-phenylmethoxyethyl] formate?
The InChIKey is QWDGFATXKJSGSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O4/c21-12-24-18(23-11-13-5-2-1-3-6-13)16(22)15-9-14-7-4-8-19-17(14)20-10-15/h1-10,12,18H,11H2.
What are the key properties of [2-(1,8-naphthyridin-3-yl)-2-oxo-1-phenylmethoxyethyl] formate?
[2-(1,8-naphthyridin-3-yl)-2-oxo-1-phenylmethoxyethyl] formate has a molecular weight of 322.32 g/mol, XLogP of 2.53, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1,8-naphthyridin-3-yl)-2-oxo-1-phenylmethoxyethyl] formate is sourced from PubChem (CID 174791891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).