2-(4-methoxyphenyl)-3-methyl-1H-1,8-naphthyridin-4-one

C16H14N2O2 — CID 70694150

IUPAC2-(4-methoxyphenyl)-3-methyl-1H-1,8-naphthyridin-4-one
SMILESCOc1ccc(-c2[nH]c3ncccc3c(=O)c2C)cc1
InChIInChI=1S/C16H14N2O2/c1-10-14(11-5-7-12(20-2)8-6-11)18-16-13(15(10)19)4-3-9-17-16/h3-9H,1-2H3,(H,17,18,19)
InChIKeyUATLGFNCDMAUMP-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.91
Rot. Bonds2

About 2-(4-methoxyphenyl)-3-methyl-1H-1,8-naphthyridin-4-one

2-(4-methoxyphenyl)-3-methyl-1H-1,8-naphthyridin-4-one (PubChem CID 70694150) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-3-methyl-1H-1,8-naphthyridin-4-one.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-3-methyl-1H-1,8-naphthyridin-4-one
PubChem CID70694150
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC Name2-(4-methoxyphenyl)-3-methyl-1H-1,8-naphthyridin-4-one
SMILESCOc1ccc(-c2[nH]c3ncccc3c(=O)c2C)cc1
InChIInChI=1S/C16H14N2O2/c1-10-14(11-5-7-12(20-2)8-6-11)18-16-13(15(10)19)4-3-9-17-16/h3-9H,1-2H3,(H,17,18,19)
InChIKeyUATLGFNCDMAUMP-UHFFFAOYSA-N
XLogP2.91
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-3-methyl-1H-1,8-naphthyridin-4-one?
The IUPAC name of 2-(4-methoxyphenyl)-3-methyl-1H-1,8-naphthyridin-4-one (CID 70694150) is 2-(4-methoxyphenyl)-3-methyl-1H-1,8-naphthyridin-4-one.
What is the SMILES notation for 2-(4-methoxyphenyl)-3-methyl-1H-1,8-naphthyridin-4-one?
The canonical SMILES for 2-(4-methoxyphenyl)-3-methyl-1H-1,8-naphthyridin-4-one is COc1ccc(-c2[nH]c3ncccc3c(=O)c2C)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-3-methyl-1H-1,8-naphthyridin-4-one?
The InChIKey is UATLGFNCDMAUMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2/c1-10-14(11-5-7-12(20-2)8-6-11)18-16-13(15(10)19)4-3-9-17-16/h3-9H,1-2H3,(H,17,18,19).
What are the key properties of 2-(4-methoxyphenyl)-3-methyl-1H-1,8-naphthyridin-4-one?
2-(4-methoxyphenyl)-3-methyl-1H-1,8-naphthyridin-4-one has a molecular weight of 266.30 g/mol, XLogP of 2.91, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-3-methyl-1H-1,8-naphthyridin-4-one is sourced from PubChem (CID 70694150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).