7-(2-hydroxyethoxy)-1-propan-2-yl-1,8-naphthyridin-2-one

C13H16N2O3 — CID 137470063

IUPAC7-(2-hydroxyethoxy)-1-propan-2-yl-1,8-naphthyridin-2-one
SMILESCC(C)n1c(=O)ccc2ccc(OCCO)nc21
InChIInChI=1S/C13H16N2O3/c1-9(2)15-12(17)6-4-10-3-5-11(14-13(10)15)18-8-7-16/h3-6,9,16H,7-8H2,1-2H3
InChIKeyLFCHTJITCHDCRU-UHFFFAOYSA-N
MW248.28 g/mol
LogP1.35
Rot. Bonds4

About 7-(2-hydroxyethoxy)-1-propan-2-yl-1,8-naphthyridin-2-one

7-(2-hydroxyethoxy)-1-propan-2-yl-1,8-naphthyridin-2-one (PubChem CID 137470063) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is 7-(2-hydroxyethoxy)-1-propan-2-yl-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name7-(2-hydroxyethoxy)-1-propan-2-yl-1,8-naphthyridin-2-one
PubChem CID137470063
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name7-(2-hydroxyethoxy)-1-propan-2-yl-1,8-naphthyridin-2-one
SMILESCC(C)n1c(=O)ccc2ccc(OCCO)nc21
InChIInChI=1S/C13H16N2O3/c1-9(2)15-12(17)6-4-10-3-5-11(14-13(10)15)18-8-7-16/h3-6,9,16H,7-8H2,1-2H3
InChIKeyLFCHTJITCHDCRU-UHFFFAOYSA-N
XLogP1.35
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 ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[dihydroxy(methyl)-λ4-sulfanyl]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one
CID 156734462
2-quinolin-2-yloxyethanol
CID 19898678
2-[(6-methoxy-2-pyridinyl)oxy]ethanol
CID 139263973
2-[(4-hydroxycyclohexyl)amino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one
CID 118146892
ethane;4-(3-hydroxypropoxy)-1-methylpyrimidin-2-one
CID 176574930
1-[4-(difluoromethoxy)phenyl]-7-ethoxy-1,8-naphthyridin-2-one
CID 175776316
8-propan-2-yl-2-[(1-propan-2-ylpyrazol-4-yl)amino]pyrido[2,3-d]pyrimidin-7-one
CID 163196400
2-(oxan-4-ylamino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one
CID 122178088
2-[[6-(hydroxymethyl)-2-pyridinyl]oxy]ethanol
CID 62240901
2-[[1-(2-methylpropanoyl)piperidin-4-yl]amino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one
CID 118146819
1-cyclooctyl-4-(2-hydroxyethoxy)pyrimidin-2-one
CID 176574981
2-(2-propoxypyrimidin-4-yl)oxyethanol
CID 68639472

Frequently Asked Questions

What is the IUPAC name of 7-(2-hydroxyethoxy)-1-propan-2-yl-1,8-naphthyridin-2-one?
The IUPAC name of 7-(2-hydroxyethoxy)-1-propan-2-yl-1,8-naphthyridin-2-one (CID 137470063) is 7-(2-hydroxyethoxy)-1-propan-2-yl-1,8-naphthyridin-2-one.
What is the SMILES notation for 7-(2-hydroxyethoxy)-1-propan-2-yl-1,8-naphthyridin-2-one?
The canonical SMILES for 7-(2-hydroxyethoxy)-1-propan-2-yl-1,8-naphthyridin-2-one is CC(C)n1c(=O)ccc2ccc(OCCO)nc21.
What is the InChIKey of 7-(2-hydroxyethoxy)-1-propan-2-yl-1,8-naphthyridin-2-one?
The InChIKey is LFCHTJITCHDCRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-9(2)15-12(17)6-4-10-3-5-11(14-13(10)15)18-8-7-16/h3-6,9,16H,7-8H2,1-2H3.
What are the key properties of 7-(2-hydroxyethoxy)-1-propan-2-yl-1,8-naphthyridin-2-one?
7-(2-hydroxyethoxy)-1-propan-2-yl-1,8-naphthyridin-2-one has a molecular weight of 248.28 g/mol, XLogP of 1.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-hydroxyethoxy)-1-propan-2-yl-1,8-naphthyridin-2-one is sourced from PubChem (CID 137470063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).