2-[4-(2-ethoxyphenyl)phenyl]-1H-1,6-naphthyridin-4-one

C22H18N2O2 — CID 57393096

IUPAC2-[4-(2-ethoxyphenyl)phenyl]-1H-1,6-naphthyridin-4-one
SMILESCCOc1ccccc1-c1ccc(-c2cc(=O)c3cnccc3[nH]2)cc1
InChIInChI=1S/C22H18N2O2/c1-2-26-22-6-4-3-5-17(22)15-7-9-16(10-8-15)20-13-21(25)18-14-23-12-11-19(18)24-20/h3-14H,2H2,1H3,(H,24,25)
InChIKeyMVEWARNTEWZBPQ-UHFFFAOYSA-N
MW342.40 g/mol
LogP4.66
Rot. Bonds4

About 2-[4-(2-ethoxyphenyl)phenyl]-1H-1,6-naphthyridin-4-one

2-[4-(2-ethoxyphenyl)phenyl]-1H-1,6-naphthyridin-4-one (PubChem CID 57393096) has the molecular formula C22H18N2O2 and a molecular weight of 342.40 g/mol. Its IUPAC name is 2-[4-(2-ethoxyphenyl)phenyl]-1H-1,6-naphthyridin-4-one.

Molecular Properties

Compound Name2-[4-(2-ethoxyphenyl)phenyl]-1H-1,6-naphthyridin-4-one
PubChem CID57393096
Molecular FormulaC22H18N2O2
Molecular Weight342.40 g/mol
Exact Mass342.14
IUPAC Name2-[4-(2-ethoxyphenyl)phenyl]-1H-1,6-naphthyridin-4-one
SMILESCCOc1ccccc1-c1ccc(-c2cc(=O)c3cnccc3[nH]2)cc1
InChIInChI=1S/C22H18N2O2/c1-2-26-22-6-4-3-5-17(22)15-7-9-16(10-8-15)20-13-21(25)18-14-23-12-11-19(18)24-20/h3-14H,2H2,1H3,(H,24,25)
InChIKeyMVEWARNTEWZBPQ-UHFFFAOYSA-N
XLogP4.66
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-ethoxyphenyl)phenyl]-1H-1,6-naphthyridin-4-one?
The IUPAC name of 2-[4-(2-ethoxyphenyl)phenyl]-1H-1,6-naphthyridin-4-one (CID 57393096) is 2-[4-(2-ethoxyphenyl)phenyl]-1H-1,6-naphthyridin-4-one.
What is the SMILES notation for 2-[4-(2-ethoxyphenyl)phenyl]-1H-1,6-naphthyridin-4-one?
The canonical SMILES for 2-[4-(2-ethoxyphenyl)phenyl]-1H-1,6-naphthyridin-4-one is CCOc1ccccc1-c1ccc(-c2cc(=O)c3cnccc3[nH]2)cc1.
What is the InChIKey of 2-[4-(2-ethoxyphenyl)phenyl]-1H-1,6-naphthyridin-4-one?
The InChIKey is MVEWARNTEWZBPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O2/c1-2-26-22-6-4-3-5-17(22)15-7-9-16(10-8-15)20-13-21(25)18-14-23-12-11-19(18)24-20/h3-14H,2H2,1H3,(H,24,25).
What are the key properties of 2-[4-(2-ethoxyphenyl)phenyl]-1H-1,6-naphthyridin-4-one?
2-[4-(2-ethoxyphenyl)phenyl]-1H-1,6-naphthyridin-4-one has a molecular weight of 342.40 g/mol, XLogP of 4.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-ethoxyphenyl)phenyl]-1H-1,6-naphthyridin-4-one is sourced from PubChem (CID 57393096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).