5-ethyl-8-oxo-2,3-dihydrofuro[3,2-b][1,8]naphthyridine-7-carboxylic acid

C13H12N2O4 — CID 3055903

IUPAC5-ethyl-8-oxo-2,3-dihydrofuro[3,2-b][1,8]naphthyridine-7-carboxylic acid
SMILESCCn1cc(C(=O)O)c(=O)c2cc3c(nc21)CCO3
InChIInChI=1S/C13H12N2O4/c1-2-15-6-8(13(17)18)11(16)7-5-10-9(3-4-19-10)14-12(7)15/h5-6H,2-4H2,1H3,(H,17,18)
InChIKeyZZUBSZLETVVBIM-UHFFFAOYSA-N
MW260.25 g/mol
LogP1.05
Rot. Bonds2

About 5-ethyl-8-oxo-2,3-dihydrofuro[3,2-b][1,8]naphthyridine-7-carboxylic acid

5-ethyl-8-oxo-2,3-dihydrofuro[3,2-b][1,8]naphthyridine-7-carboxylic acid (PubChem CID 3055903) has the molecular formula C13H12N2O4 and a molecular weight of 260.25 g/mol. Its IUPAC name is 5-ethyl-8-oxo-2,3-dihydrofuro[3,2-b][1,8]naphthyridine-7-carboxylic acid.

Molecular Properties

Compound Name5-ethyl-8-oxo-2,3-dihydrofuro[3,2-b][1,8]naphthyridine-7-carboxylic acid
PubChem CID3055903
Molecular FormulaC13H12N2O4
Molecular Weight260.25 g/mol
Exact Mass260.08
IUPAC Name5-ethyl-8-oxo-2,3-dihydrofuro[3,2-b][1,8]naphthyridine-7-carboxylic acid
SMILESCCn1cc(C(=O)O)c(=O)c2cc3c(nc21)CCO3
InChIInChI=1S/C13H12N2O4/c1-2-15-6-8(13(17)18)11(16)7-5-10-9(3-4-19-10)14-12(7)15/h5-6H,2-4H2,1H3,(H,17,18)
InChIKeyZZUBSZLETVVBIM-UHFFFAOYSA-N
XLogP1.05
TPSA81.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(13R,15S)-13-hydroxy-4-oxo-17-oxa-7,9,11-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),2,5,8-tetraene-5-carboxylic acid
CID 11843543
(14S)-4-oxo-16-oxa-7,9,11-triazatetracyclo[8.6.0.03,8.011,14]hexadeca-1(10),2,5,8-tetraene-5-carboxylic acid
CID 11844086
(15S)-4-oxo-17-oxa-7,9,11-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),2,5,8-tetraene-5-carboxylic acid
CID 11844214
DJ 6783
CID 175411
(13S,15S)-13-amino-4-oxo-17-oxa-7,9,11-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),2,5,8-tetraene-5-carboxylic acid
CID 11843427
(15S,16S)-16-methyl-4-oxo-17-oxa-7,9,11-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),2,5,8-tetraene-5-carboxylic acid
CID 11843546
4-methyl-9-oxo-3,6-dihydro-2H-[1,4]oxazino[3,2-b][1,8]naphthyridine-8-carboxylic acid
CID 11492638
4-ethyl-9-oxo-3,6-dihydro-2H-[1,4]oxazino[3,2-b][1,8]naphthyridine-8-carboxylic acid
CID 11673508
(15S)-7-[(2,4-dimethoxyphenyl)methyl]-4-oxo-17-oxa-7,9,11-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),2,5,8-tetraene-5-carboxylic acid
CID 11844213
(15R)-7-[(2,4-dimethoxyphenyl)methyl]-4-oxo-17-oxa-7,9,11-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),2,5,8-tetraene-5-carboxylic acid
CID 11844219
(15R)-4-oxo-17-oxa-7,9,11-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),2,5,8-tetraene-5-carboxylic acid
CID 11844333
(15S,16R)-16-methyl-4-oxo-17-oxa-7,9,11-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),2,5,8-tetraene-5-carboxylic acid
CID 11843676

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-8-oxo-2,3-dihydrofuro[3,2-b][1,8]naphthyridine-7-carboxylic acid?
The IUPAC name of 5-ethyl-8-oxo-2,3-dihydrofuro[3,2-b][1,8]naphthyridine-7-carboxylic acid (CID 3055903) is 5-ethyl-8-oxo-2,3-dihydrofuro[3,2-b][1,8]naphthyridine-7-carboxylic acid.
What is the SMILES notation for 5-ethyl-8-oxo-2,3-dihydrofuro[3,2-b][1,8]naphthyridine-7-carboxylic acid?
The canonical SMILES for 5-ethyl-8-oxo-2,3-dihydrofuro[3,2-b][1,8]naphthyridine-7-carboxylic acid is CCn1cc(C(=O)O)c(=O)c2cc3c(nc21)CCO3.
What is the InChIKey of 5-ethyl-8-oxo-2,3-dihydrofuro[3,2-b][1,8]naphthyridine-7-carboxylic acid?
The InChIKey is ZZUBSZLETVVBIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O4/c1-2-15-6-8(13(17)18)11(16)7-5-10-9(3-4-19-10)14-12(7)15/h5-6H,2-4H2,1H3,(H,17,18).
What are the key properties of 5-ethyl-8-oxo-2,3-dihydrofuro[3,2-b][1,8]naphthyridine-7-carboxylic acid?
5-ethyl-8-oxo-2,3-dihydrofuro[3,2-b][1,8]naphthyridine-7-carboxylic acid has a molecular weight of 260.25 g/mol, XLogP of 1.05, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-8-oxo-2,3-dihydrofuro[3,2-b][1,8]naphthyridine-7-carboxylic acid is sourced from PubChem (CID 3055903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).