2-(4-methoxyphenyl)-6H-1,6-naphthyridin-5-one

C15H12N2O2 — CID 161186979

IUPAC2-(4-methoxyphenyl)-6H-1,6-naphthyridin-5-one
SMILESCOc1ccc(-c2ccc3c(=O)[nH]ccc3n2)cc1
InChIInChI=1S/C15H12N2O2/c1-19-11-4-2-10(3-5-11)13-7-6-12-14(17-13)8-9-16-15(12)18/h2-9H,1H3,(H,16,18)
InChIKeyUTFCVIQQCIUCNA-UHFFFAOYSA-N
MW252.27 g/mol
LogP2.60
Rot. Bonds2

About 2-(4-methoxyphenyl)-6H-1,6-naphthyridin-5-one

2-(4-methoxyphenyl)-6H-1,6-naphthyridin-5-one (PubChem CID 161186979) has the molecular formula C15H12N2O2 and a molecular weight of 252.27 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-6H-1,6-naphthyridin-5-one.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-6H-1,6-naphthyridin-5-one
PubChem CID161186979
Molecular FormulaC15H12N2O2
Molecular Weight252.27 g/mol
Exact Mass252.09
IUPAC Name2-(4-methoxyphenyl)-6H-1,6-naphthyridin-5-one
SMILESCOc1ccc(-c2ccc3c(=O)[nH]ccc3n2)cc1
InChIInChI=1S/C15H12N2O2/c1-19-11-4-2-10(3-5-11)13-7-6-12-14(17-13)8-9-16-15(12)18/h2-9H,1H3,(H,16,18)
InChIKeyUTFCVIQQCIUCNA-UHFFFAOYSA-N
XLogP2.60
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-6H-1,6-naphthyridin-5-one?
The IUPAC name of 2-(4-methoxyphenyl)-6H-1,6-naphthyridin-5-one (CID 161186979) is 2-(4-methoxyphenyl)-6H-1,6-naphthyridin-5-one.
What is the SMILES notation for 2-(4-methoxyphenyl)-6H-1,6-naphthyridin-5-one?
The canonical SMILES for 2-(4-methoxyphenyl)-6H-1,6-naphthyridin-5-one is COc1ccc(-c2ccc3c(=O)[nH]ccc3n2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-6H-1,6-naphthyridin-5-one?
The InChIKey is UTFCVIQQCIUCNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O2/c1-19-11-4-2-10(3-5-11)13-7-6-12-14(17-13)8-9-16-15(12)18/h2-9H,1H3,(H,16,18).
What are the key properties of 2-(4-methoxyphenyl)-6H-1,6-naphthyridin-5-one?
2-(4-methoxyphenyl)-6H-1,6-naphthyridin-5-one has a molecular weight of 252.27 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-6H-1,6-naphthyridin-5-one is sourced from PubChem (CID 161186979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).