2-(2-methoxyphenyl)-5,7-dimethyl-1H-1,8-naphthyridin-4-one

C17H16N2O2 — CID 5468701

IUPAC2-(2-methoxyphenyl)-5,7-dimethyl-1H-1,8-naphthyridin-4-one
SMILESCOc1ccccc1-c1cc(=O)c2c(C)cc(C)nc2[nH]1
InChIInChI=1S/C17H16N2O2/c1-10-8-11(2)18-17-16(10)14(20)9-13(19-17)12-6-4-5-7-15(12)21-3/h4-9H,1-3H3,(H,18,19,20)
InChIKeyOFDKYUNSSDGJFN-UHFFFAOYSA-N
MW280.33 g/mol
LogP3.22
Rot. Bonds2

About 2-(2-methoxyphenyl)-5,7-dimethyl-1H-1,8-naphthyridin-4-one

2-(2-methoxyphenyl)-5,7-dimethyl-1H-1,8-naphthyridin-4-one (PubChem CID 5468701) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-5,7-dimethyl-1H-1,8-naphthyridin-4-one.

Molecular Properties

Compound Name2-(2-methoxyphenyl)-5,7-dimethyl-1H-1,8-naphthyridin-4-one
PubChem CID5468701
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Name2-(2-methoxyphenyl)-5,7-dimethyl-1H-1,8-naphthyridin-4-one
SMILESCOc1ccccc1-c1cc(=O)c2c(C)cc(C)nc2[nH]1
InChIInChI=1S/C17H16N2O2/c1-10-8-11(2)18-17-16(10)14(20)9-13(19-17)12-6-4-5-7-15(12)21-3/h4-9H,1-3H3,(H,18,19,20)
InChIKeyOFDKYUNSSDGJFN-UHFFFAOYSA-N
XLogP3.22
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)-5,7-dimethyl-1H-1,8-naphthyridin-4-one?
The IUPAC name of 2-(2-methoxyphenyl)-5,7-dimethyl-1H-1,8-naphthyridin-4-one (CID 5468701) is 2-(2-methoxyphenyl)-5,7-dimethyl-1H-1,8-naphthyridin-4-one.
What is the SMILES notation for 2-(2-methoxyphenyl)-5,7-dimethyl-1H-1,8-naphthyridin-4-one?
The canonical SMILES for 2-(2-methoxyphenyl)-5,7-dimethyl-1H-1,8-naphthyridin-4-one is COc1ccccc1-c1cc(=O)c2c(C)cc(C)nc2[nH]1.
What is the InChIKey of 2-(2-methoxyphenyl)-5,7-dimethyl-1H-1,8-naphthyridin-4-one?
The InChIKey is OFDKYUNSSDGJFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-10-8-11(2)18-17-16(10)14(20)9-13(19-17)12-6-4-5-7-15(12)21-3/h4-9H,1-3H3,(H,18,19,20).
What are the key properties of 2-(2-methoxyphenyl)-5,7-dimethyl-1H-1,8-naphthyridin-4-one?
2-(2-methoxyphenyl)-5,7-dimethyl-1H-1,8-naphthyridin-4-one has a molecular weight of 280.33 g/mol, XLogP of 3.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)-5,7-dimethyl-1H-1,8-naphthyridin-4-one is sourced from PubChem (CID 5468701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).