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'}

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Related Compounds

4-[4-(3,5-dimethylphenoxy)but-2-ynoxy]-1-phenyl-1,8-naphthyridin-2-one
CID 24801440
4-[(4-methylphenoxy)methyl]-10-phenyl-2H-thiopyrano[2,3-b][1,8]naphthyridin-5-one
CID 24801775
4-[4-(2,4-dichlorophenoxy)but-2-ynoxy]-1-phenyl-3-prop-2-enyl-1,8-naphthyridin-2-one
CID 11691684
7-methyl-9-phenylpyrido[2,3-b]indole
CID 140770345
4-[4-(2-oxo-1-phenylquinolin-4-yl)oxybutoxy]-1-phenylquinolin-2-one
CID 110273820
2-[4-(4-methylphenoxy)but-2-ynylsulfanyl]thiochromen-4-one
CID 11100273
4-[(2-bromophenyl)methylsulfonyl]-1-phenyl-1,8-naphthyridin-2-one
CID 25131912
2-anilino-1-phenyl-1,8-naphthyridin-4-one
CID 141067621
1-(4-methoxyphenyl)-2-methylpyrido[2,3-d]pyrimidin-4-one
CID 15652997
1-[3-[4-(4-methylphenoxy)but-2-ynylsulfanyl]indol-1-yl]ethanone
CID 23658703
3-[2-(2,4-dimethoxyphenyl)acetyl]-4-hydroxy-1-phenyl-1,8-naphthyridin-2-one
CID 54676206
4-hydroxy-N-(2-methoxy-5-methylphenyl)-2-oxo-1-phenyl-1,8-naphthyridine-3-carboxamide
CID 54726882

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).