(3-hydroxy-8-oxo-5-prop-2-enyl-2,3-dihydrofuro[3,2-b][1,8]naphthyridin-7-yl) hydrogen carbonate

C14H12N2O6 — CID 70572862

IUPAC(3-hydroxy-8-oxo-5-prop-2-enyl-2,3-dihydrofuro[3,2-b][1,8]naphthyridin-7-yl) hydrogen carbonate
SMILESC=CCn1cc(OC(=O)O)c(=O)c2cc3c(nc21)C(O)CO3
InChIInChI=1S/C14H12N2O6/c1-2-3-16-5-10(22-14(19)20)12(18)7-4-9-11(15-13(7)16)8(17)6-21-9/h2,4-5,8,17H,1,3,6H2,(H,19,20)
InChIKeyYLDCMBGWQWXIHT-UHFFFAOYSA-N
MW304.26 g/mol
LogP1.07
Rot. Bonds3

About (3-hydroxy-8-oxo-5-prop-2-enyl-2,3-dihydrofuro[3,2-b][1,8]naphthyridin-7-yl) hydrogen carbonate

(3-hydroxy-8-oxo-5-prop-2-enyl-2,3-dihydrofuro[3,2-b][1,8]naphthyridin-7-yl) hydrogen carbonate (PubChem CID 70572862) has the molecular formula C14H12N2O6 and a molecular weight of 304.26 g/mol. Its IUPAC name is (3-hydroxy-8-oxo-5-prop-2-enyl-2,3-dihydrofuro[3,2-b][1,8]naphthyridin-7-yl) hydrogen carbonate.

Molecular Properties

Compound Name(3-hydroxy-8-oxo-5-prop-2-enyl-2,3-dihydrofuro[3,2-b][1,8]naphthyridin-7-yl) hydrogen carbonate
PubChem CID70572862
Molecular FormulaC14H12N2O6
Molecular Weight304.26 g/mol
Exact Mass304.07
IUPAC Name(3-hydroxy-8-oxo-5-prop-2-enyl-2,3-dihydrofuro[3,2-b][1,8]naphthyridin-7-yl) hydrogen carbonate
SMILESC=CCn1cc(OC(=O)O)c(=O)c2cc3c(nc21)C(O)CO3
InChIInChI=1S/C14H12N2O6/c1-2-3-16-5-10(22-14(19)20)12(18)7-4-9-11(15-13(7)16)8(17)6-21-9/h2,4-5,8,17H,1,3,6H2,(H,19,20)
InChIKeyYLDCMBGWQWXIHT-UHFFFAOYSA-N
XLogP1.07
TPSA110.88 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.26
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (3-hydroxy-8-oxo-5-prop-2-enyl-2,3-dihydrofuro[3,2-b][1,8]naphthyridin-7-yl) hydrogen carbonate with MolForge

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Related Compounds

(7-formyl-6-hydroxy-4-oxo-1-prop-2-enyl-1,8-naphthyridin-3-yl) hydrogen carbonate
CID 88769690
(1-ethyl-7-methyl-4-oxo-1,8-naphthyridin-3-yl) hydrogen carbonate
CID 69164316
(6-chloro-1-ethyl-4-oxo-7-piperazin-1-yl-1,8-naphthyridin-3-yl) hydrogen carbonate
CID 70563744
5-oxo-8-prop-2-enyl-2-pyrrol-1-ylpyrido[2,3-d]pyrimidine-6-carboxylic acid
CID 70566888
methyl 5-carboxyoxy-1-(2,2-dimethoxyethyl)-3-methoxy-4-oxopyridine-2-carboxylate
CID 129018252
4-oxo-1-prop-2-enyl-1,8-naphthyridine-3-carboxylic acid
CID 70598090
[6,7-difluoro-1-(2-fluoroethyl)-4-oxoquinolin-3-yl] hydrogen carbonate
CID 87957353
(5-morpholin-4-yl-2-prop-2-enoxybenzoyl)-[6-(4-prop-2-enyl-1,2,4-triazol-3-yl)-2-pyridinyl]carbamic acid
CID 135304565
(6-bromo-1-ethyl-7-methyl-4-oxo-1,8-naphthyridin-3-yl) ethyl carbonate
CID 68799266
2-methoxy-12-prop-2-enyl-[1,3]benzodioxolo[5,6-c]phenanthridin-1-one
CID 102238752
(15S)-7-cyclopropyl-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 11844084
(7-amino-1-cyclopropyl-6,8-difluoro-4-oxoquinolin-3-yl) hydrogen carbonate
CID 70448131

Frequently Asked Questions

What is the IUPAC name of (3-hydroxy-8-oxo-5-prop-2-enyl-2,3-dihydrofuro[3,2-b][1,8]naphthyridin-7-yl) hydrogen carbonate?
The IUPAC name of (3-hydroxy-8-oxo-5-prop-2-enyl-2,3-dihydrofuro[3,2-b][1,8]naphthyridin-7-yl) hydrogen carbonate (CID 70572862) is (3-hydroxy-8-oxo-5-prop-2-enyl-2,3-dihydrofuro[3,2-b][1,8]naphthyridin-7-yl) hydrogen carbonate.
What is the SMILES notation for (3-hydroxy-8-oxo-5-prop-2-enyl-2,3-dihydrofuro[3,2-b][1,8]naphthyridin-7-yl) hydrogen carbonate?
The canonical SMILES for (3-hydroxy-8-oxo-5-prop-2-enyl-2,3-dihydrofuro[3,2-b][1,8]naphthyridin-7-yl) hydrogen carbonate is C=CCn1cc(OC(=O)O)c(=O)c2cc3c(nc21)C(O)CO3.
What is the InChIKey of (3-hydroxy-8-oxo-5-prop-2-enyl-2,3-dihydrofuro[3,2-b][1,8]naphthyridin-7-yl) hydrogen carbonate?
The InChIKey is YLDCMBGWQWXIHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O6/c1-2-3-16-5-10(22-14(19)20)12(18)7-4-9-11(15-13(7)16)8(17)6-21-9/h2,4-5,8,17H,1,3,6H2,(H,19,20).
What are the key properties of (3-hydroxy-8-oxo-5-prop-2-enyl-2,3-dihydrofuro[3,2-b][1,8]naphthyridin-7-yl) hydrogen carbonate?
(3-hydroxy-8-oxo-5-prop-2-enyl-2,3-dihydrofuro[3,2-b][1,8]naphthyridin-7-yl) hydrogen carbonate has a molecular weight of 304.26 g/mol, XLogP of 1.07, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxy-8-oxo-5-prop-2-enyl-2,3-dihydrofuro[3,2-b][1,8]naphthyridin-7-yl) hydrogen carbonate is sourced from PubChem (CID 70572862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).