1-(3-hydroxy-2-methylpropyl)-7-methoxy-1,5-naphthyridin-2-one

C13H16N2O3 — CID 122448283

IUPAC1-(3-hydroxy-2-methylpropyl)-7-methoxy-1,5-naphthyridin-2-one
SMILESCOc1cnc2ccc(=O)n(CC(C)CO)c2c1
InChIInChI=1S/C13H16N2O3/c1-9(8-16)7-15-12-5-10(18-2)6-14-11(12)3-4-13(15)17/h3-6,9,16H,7-8H2,1-2H3
InChIKeyAJKCZJNJSXFBMC-UHFFFAOYSA-N
MW248.28 g/mol
LogP1.03
Rot. Bonds4

About 1-(3-hydroxy-2-methylpropyl)-7-methoxy-1,5-naphthyridin-2-one

1-(3-hydroxy-2-methylpropyl)-7-methoxy-1,5-naphthyridin-2-one (PubChem CID 122448283) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is 1-(3-hydroxy-2-methylpropyl)-7-methoxy-1,5-naphthyridin-2-one.

Molecular Properties

Compound Name1-(3-hydroxy-2-methylpropyl)-7-methoxy-1,5-naphthyridin-2-one
PubChem CID122448283
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name1-(3-hydroxy-2-methylpropyl)-7-methoxy-1,5-naphthyridin-2-one
SMILESCOc1cnc2ccc(=O)n(CC(C)CO)c2c1
InChIInChI=1S/C13H16N2O3/c1-9(8-16)7-15-12-5-10(18-2)6-14-11(12)3-4-13(15)17/h3-6,9,16H,7-8H2,1-2H3
InChIKeyAJKCZJNJSXFBMC-UHFFFAOYSA-N
XLogP1.03
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxy-2-methylpropyl)-7-methoxy-1,5-naphthyridin-2-one?
The IUPAC name of 1-(3-hydroxy-2-methylpropyl)-7-methoxy-1,5-naphthyridin-2-one (CID 122448283) is 1-(3-hydroxy-2-methylpropyl)-7-methoxy-1,5-naphthyridin-2-one.
What is the SMILES notation for 1-(3-hydroxy-2-methylpropyl)-7-methoxy-1,5-naphthyridin-2-one?
The canonical SMILES for 1-(3-hydroxy-2-methylpropyl)-7-methoxy-1,5-naphthyridin-2-one is COc1cnc2ccc(=O)n(CC(C)CO)c2c1.
What is the InChIKey of 1-(3-hydroxy-2-methylpropyl)-7-methoxy-1,5-naphthyridin-2-one?
The InChIKey is AJKCZJNJSXFBMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-9(8-16)7-15-12-5-10(18-2)6-14-11(12)3-4-13(15)17/h3-6,9,16H,7-8H2,1-2H3.
What are the key properties of 1-(3-hydroxy-2-methylpropyl)-7-methoxy-1,5-naphthyridin-2-one?
1-(3-hydroxy-2-methylpropyl)-7-methoxy-1,5-naphthyridin-2-one has a molecular weight of 248.28 g/mol, XLogP of 1.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxy-2-methylpropyl)-7-methoxy-1,5-naphthyridin-2-one is sourced from PubChem (CID 122448283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).