ethyl 2-(1-methyl-5-oxo-3,4-dihydro-2H-1,6-naphthyridin-6-yl)acetate

C13H18N2O3 — CID 71697558

IUPACethyl 2-(1-methyl-5-oxo-3,4-dihydro-2H-1,6-naphthyridin-6-yl)acetate
SMILESCCOC(=O)Cn1ccc2c(c1=O)CCCN2C
InChIInChI=1S/C13H18N2O3/c1-3-18-12(16)9-15-8-6-11-10(13(15)17)5-4-7-14(11)2/h6,8H,3-5,7,9H2,1-2H3
InChIKeyVUOQYQZUEFGJNF-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.79
Rot. Bonds3

About ethyl 2-(1-methyl-5-oxo-3,4-dihydro-2H-1,6-naphthyridin-6-yl)acetate

ethyl 2-(1-methyl-5-oxo-3,4-dihydro-2H-1,6-naphthyridin-6-yl)acetate (PubChem CID 71697558) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is ethyl 2-(1-methyl-5-oxo-3,4-dihydro-2H-1,6-naphthyridin-6-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(1-methyl-5-oxo-3,4-dihydro-2H-1,6-naphthyridin-6-yl)acetate
PubChem CID71697558
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Nameethyl 2-(1-methyl-5-oxo-3,4-dihydro-2H-1,6-naphthyridin-6-yl)acetate
SMILESCCOC(=O)Cn1ccc2c(c1=O)CCCN2C
InChIInChI=1S/C13H18N2O3/c1-3-18-12(16)9-15-8-6-11-10(13(15)17)5-4-7-14(11)2/h6,8H,3-5,7,9H2,1-2H3
InChIKeyVUOQYQZUEFGJNF-UHFFFAOYSA-N
XLogP0.79
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(1-methyl-5-oxo-3,4-dihydro-2H-1,6-naphthyridin-6-yl)acetate?
The IUPAC name of ethyl 2-(1-methyl-5-oxo-3,4-dihydro-2H-1,6-naphthyridin-6-yl)acetate (CID 71697558) is ethyl 2-(1-methyl-5-oxo-3,4-dihydro-2H-1,6-naphthyridin-6-yl)acetate.
What is the SMILES notation for ethyl 2-(1-methyl-5-oxo-3,4-dihydro-2H-1,6-naphthyridin-6-yl)acetate?
The canonical SMILES for ethyl 2-(1-methyl-5-oxo-3,4-dihydro-2H-1,6-naphthyridin-6-yl)acetate is CCOC(=O)Cn1ccc2c(c1=O)CCCN2C.
What is the InChIKey of ethyl 2-(1-methyl-5-oxo-3,4-dihydro-2H-1,6-naphthyridin-6-yl)acetate?
The InChIKey is VUOQYQZUEFGJNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-3-18-12(16)9-15-8-6-11-10(13(15)17)5-4-7-14(11)2/h6,8H,3-5,7,9H2,1-2H3.
What are the key properties of ethyl 2-(1-methyl-5-oxo-3,4-dihydro-2H-1,6-naphthyridin-6-yl)acetate?
ethyl 2-(1-methyl-5-oxo-3,4-dihydro-2H-1,6-naphthyridin-6-yl)acetate has a molecular weight of 250.30 g/mol, XLogP of 0.79, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(1-methyl-5-oxo-3,4-dihydro-2H-1,6-naphthyridin-6-yl)acetate is sourced from PubChem (CID 71697558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).