7-(2-methoxy-2-oxoethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylic acid

C12H14N2O4 — CID 68509915

IUPAC7-(2-methoxy-2-oxoethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylic acid
SMILESCOC(=O)Cc1ccc2c(n1)N(C(=O)O)CCC2
InChIInChI=1S/C12H14N2O4/c1-18-10(15)7-9-5-4-8-3-2-6-14(12(16)17)11(8)13-9/h4-5H,2-3,6-7H2,1H3,(H,16,17)
InChIKeyDFGKKSJANNKEIR-UHFFFAOYSA-N
MW250.25 g/mol
LogP1.23
Rot. Bonds2

About 7-(2-methoxy-2-oxoethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylic acid

7-(2-methoxy-2-oxoethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylic acid (PubChem CID 68509915) has the molecular formula C12H14N2O4 and a molecular weight of 250.25 g/mol. Its IUPAC name is 7-(2-methoxy-2-oxoethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylic acid.

Molecular Properties

Compound Name7-(2-methoxy-2-oxoethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylic acid
PubChem CID68509915
Molecular FormulaC12H14N2O4
Molecular Weight250.25 g/mol
Exact Mass250.10
IUPAC Name7-(2-methoxy-2-oxoethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylic acid
SMILESCOC(=O)Cc1ccc2c(n1)N(C(=O)O)CCC2
InChIInChI=1S/C12H14N2O4/c1-18-10(15)7-9-5-4-8-3-2-6-14(12(16)17)11(8)13-9/h4-5H,2-3,6-7H2,1H3,(H,16,17)
InChIKeyDFGKKSJANNKEIR-UHFFFAOYSA-N
XLogP1.23
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.25
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(2-methoxy-2-oxoethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylic acid?
The IUPAC name of 7-(2-methoxy-2-oxoethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylic acid (CID 68509915) is 7-(2-methoxy-2-oxoethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylic acid.
What is the SMILES notation for 7-(2-methoxy-2-oxoethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylic acid?
The canonical SMILES for 7-(2-methoxy-2-oxoethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylic acid is COC(=O)Cc1ccc2c(n1)N(C(=O)O)CCC2.
What is the InChIKey of 7-(2-methoxy-2-oxoethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylic acid?
The InChIKey is DFGKKSJANNKEIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O4/c1-18-10(15)7-9-5-4-8-3-2-6-14(12(16)17)11(8)13-9/h4-5H,2-3,6-7H2,1H3,(H,16,17).
What are the key properties of 7-(2-methoxy-2-oxoethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylic acid?
7-(2-methoxy-2-oxoethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylic acid has a molecular weight of 250.25 g/mol, XLogP of 1.23, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-methoxy-2-oxoethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylic acid is sourced from PubChem (CID 68509915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).