4-[4-(4-methylphenoxy)but-2-ynoxy]-1-phenyl-1,8-naphthyridin-2-one

C25H20N2O3 — CID 16751800

IUPAC4-[4-(4-methylphenoxy)but-2-ynoxy]-1-phenyl-1,8-naphthyridin-2-one
SMILESCc1ccc(OCC#CCOc2cc(=O)n(-c3ccccc3)c3ncccc23)cc1
InChIInChI=1S/C25H20N2O3/c1-19-11-13-21(14-12-19)29-16-5-6-17-30-23-18-24(28)27(20-8-3-2-4-9-20)25-22(23)10-7-15-26-25/h2-4,7-15,18H,16-17H2,1H3
InChIKeyBNJWFJFQMJDQEN-UHFFFAOYSA-N
MW396.45 g/mol
LogP4.16
Rot. Bonds5

About 4-[4-(4-methylphenoxy)but-2-ynoxy]-1-phenyl-1,8-naphthyridin-2-one

4-[4-(4-methylphenoxy)but-2-ynoxy]-1-phenyl-1,8-naphthyridin-2-one (PubChem CID 16751800) has the molecular formula C25H20N2O3 and a molecular weight of 396.45 g/mol. Its IUPAC name is 4-[4-(4-methylphenoxy)but-2-ynoxy]-1-phenyl-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name4-[4-(4-methylphenoxy)but-2-ynoxy]-1-phenyl-1,8-naphthyridin-2-one
PubChem CID16751800
Molecular FormulaC25H20N2O3
Molecular Weight396.45 g/mol
Exact Mass396.15
IUPAC Name4-[4-(4-methylphenoxy)but-2-ynoxy]-1-phenyl-1,8-naphthyridin-2-one
SMILESCc1ccc(OCC#CCOc2cc(=O)n(-c3ccccc3)c3ncccc23)cc1
InChIInChI=1S/C25H20N2O3/c1-19-11-13-21(14-12-19)29-16-5-6-17-30-23-18-24(28)27(20-8-3-2-4-9-20)25-22(23)10-7-15-26-25/h2-4,7-15,18H,16-17H2,1H3
InChIKeyBNJWFJFQMJDQEN-UHFFFAOYSA-N
XLogP4.16
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-[4-(4-methylphenoxy)but-2-ynoxy]-1-phenyl-1,8-naphthyridin-2-one 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-[4-(4-methylphenoxy)but-2-ynoxy]-1-phenyl-1,8-naphthyridin-2-one?
The IUPAC name of 4-[4-(4-methylphenoxy)but-2-ynoxy]-1-phenyl-1,8-naphthyridin-2-one (CID 16751800) is 4-[4-(4-methylphenoxy)but-2-ynoxy]-1-phenyl-1,8-naphthyridin-2-one.
What is the SMILES notation for 4-[4-(4-methylphenoxy)but-2-ynoxy]-1-phenyl-1,8-naphthyridin-2-one?
The canonical SMILES for 4-[4-(4-methylphenoxy)but-2-ynoxy]-1-phenyl-1,8-naphthyridin-2-one is Cc1ccc(OCC#CCOc2cc(=O)n(-c3ccccc3)c3ncccc23)cc1.
What is the InChIKey of 4-[4-(4-methylphenoxy)but-2-ynoxy]-1-phenyl-1,8-naphthyridin-2-one?
The InChIKey is BNJWFJFQMJDQEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N2O3/c1-19-11-13-21(14-12-19)29-16-5-6-17-30-23-18-24(28)27(20-8-3-2-4-9-20)25-22(23)10-7-15-26-25/h2-4,7-15,18H,16-17H2,1H3.
What are the key properties of 4-[4-(4-methylphenoxy)but-2-ynoxy]-1-phenyl-1,8-naphthyridin-2-one?
4-[4-(4-methylphenoxy)but-2-ynoxy]-1-phenyl-1,8-naphthyridin-2-one has a molecular weight of 396.45 g/mol, XLogP of 4.16, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-methylphenoxy)but-2-ynoxy]-1-phenyl-1,8-naphthyridin-2-one is sourced from PubChem (CID 16751800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).