4-ethyl-2-phenylmethoxy-8H-1,6-naphthyridine-5,7-dione

C17H16N2O3 — CID 58317233

IUPAC4-ethyl-2-phenylmethoxy-8H-1,6-naphthyridine-5,7-dione
SMILESCCc1cc(OCc2ccccc2)nc2c1C(=O)NC(=O)C2
InChIInChI=1S/C17H16N2O3/c1-2-12-8-15(22-10-11-6-4-3-5-7-11)18-13-9-14(20)19-17(21)16(12)13/h3-8H,2,9-10H2,1H3,(H,19,20,21)
InChIKeyOWWVTBMDMXQOKC-UHFFFAOYSA-N
MW296.33 g/mol
LogP2.04
Rot. Bonds4

About 4-ethyl-2-phenylmethoxy-8H-1,6-naphthyridine-5,7-dione

4-ethyl-2-phenylmethoxy-8H-1,6-naphthyridine-5,7-dione (PubChem CID 58317233) has the molecular formula C17H16N2O3 and a molecular weight of 296.33 g/mol. Its IUPAC name is 4-ethyl-2-phenylmethoxy-8H-1,6-naphthyridine-5,7-dione.

Molecular Properties

Compound Name4-ethyl-2-phenylmethoxy-8H-1,6-naphthyridine-5,7-dione
PubChem CID58317233
Molecular FormulaC17H16N2O3
Molecular Weight296.33 g/mol
Exact Mass296.12
IUPAC Name4-ethyl-2-phenylmethoxy-8H-1,6-naphthyridine-5,7-dione
SMILESCCc1cc(OCc2ccccc2)nc2c1C(=O)NC(=O)C2
InChIInChI=1S/C17H16N2O3/c1-2-12-8-15(22-10-11-6-4-3-5-7-11)18-13-9-14(20)19-17(21)16(12)13/h3-8H,2,9-10H2,1H3,(H,19,20,21)
InChIKeyOWWVTBMDMXQOKC-UHFFFAOYSA-N
XLogP2.04
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 4-ethyl-2-phenylmethoxy-8H-1,6-naphthyridine-5,7-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-phenylmethoxy-8H-1,6-naphthyridine-5,7-dione?
The IUPAC name of 4-ethyl-2-phenylmethoxy-8H-1,6-naphthyridine-5,7-dione (CID 58317233) is 4-ethyl-2-phenylmethoxy-8H-1,6-naphthyridine-5,7-dione.
What is the SMILES notation for 4-ethyl-2-phenylmethoxy-8H-1,6-naphthyridine-5,7-dione?
The canonical SMILES for 4-ethyl-2-phenylmethoxy-8H-1,6-naphthyridine-5,7-dione is CCc1cc(OCc2ccccc2)nc2c1C(=O)NC(=O)C2.
What is the InChIKey of 4-ethyl-2-phenylmethoxy-8H-1,6-naphthyridine-5,7-dione?
The InChIKey is OWWVTBMDMXQOKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3/c1-2-12-8-15(22-10-11-6-4-3-5-7-11)18-13-9-14(20)19-17(21)16(12)13/h3-8H,2,9-10H2,1H3,(H,19,20,21).
What are the key properties of 4-ethyl-2-phenylmethoxy-8H-1,6-naphthyridine-5,7-dione?
4-ethyl-2-phenylmethoxy-8H-1,6-naphthyridine-5,7-dione has a molecular weight of 296.33 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-phenylmethoxy-8H-1,6-naphthyridine-5,7-dione is sourced from PubChem (CID 58317233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).