4-amino-7-fluoro-1,3-dihydrofuro[3,4-c]quinoline-8-carboxylic acid

C12H9FN2O3 — CID 163383514

IUPAC4-amino-7-fluoro-1,3-dihydrofuro[3,4-c]quinoline-8-carboxylic acid
SMILESNc1nc2cc(F)c(C(=O)O)cc2c2c1COC2
InChIInChI=1S/C12H9FN2O3/c13-9-2-10-5(1-6(9)12(16)17)7-3-18-4-8(7)11(14)15-10/h1-2H,3-4H2,(H2,14,15)(H,16,17)
InChIKeyHGEFNEDGITZTIO-UHFFFAOYSA-N
MW248.21 g/mol
LogP1.68
Rot. Bonds1

About 4-amino-7-fluoro-1,3-dihydrofuro[3,4-c]quinoline-8-carboxylic acid

4-amino-7-fluoro-1,3-dihydrofuro[3,4-c]quinoline-8-carboxylic acid (PubChem CID 163383514) has the molecular formula C12H9FN2O3 and a molecular weight of 248.21 g/mol. Its IUPAC name is 4-amino-7-fluoro-1,3-dihydrofuro[3,4-c]quinoline-8-carboxylic acid.

Molecular Properties

Compound Name4-amino-7-fluoro-1,3-dihydrofuro[3,4-c]quinoline-8-carboxylic acid
PubChem CID163383514
Molecular FormulaC12H9FN2O3
Molecular Weight248.21 g/mol
Exact Mass248.06
IUPAC Name4-amino-7-fluoro-1,3-dihydrofuro[3,4-c]quinoline-8-carboxylic acid
SMILESNc1nc2cc(F)c(C(=O)O)cc2c2c1COC2
InChIInChI=1S/C12H9FN2O3/c13-9-2-10-5(1-6(9)12(16)17)7-3-18-4-8(7)11(14)15-10/h1-2H,3-4H2,(H2,14,15)(H,16,17)
InChIKeyHGEFNEDGITZTIO-UHFFFAOYSA-N
XLogP1.68
TPSA85.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.21
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-7-fluoro-1,3-dihydrofuro[3,4-c]quinoline-8-carboxylic acid?
The IUPAC name of 4-amino-7-fluoro-1,3-dihydrofuro[3,4-c]quinoline-8-carboxylic acid (CID 163383514) is 4-amino-7-fluoro-1,3-dihydrofuro[3,4-c]quinoline-8-carboxylic acid.
What is the SMILES notation for 4-amino-7-fluoro-1,3-dihydrofuro[3,4-c]quinoline-8-carboxylic acid?
The canonical SMILES for 4-amino-7-fluoro-1,3-dihydrofuro[3,4-c]quinoline-8-carboxylic acid is Nc1nc2cc(F)c(C(=O)O)cc2c2c1COC2.
What is the InChIKey of 4-amino-7-fluoro-1,3-dihydrofuro[3,4-c]quinoline-8-carboxylic acid?
The InChIKey is HGEFNEDGITZTIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FN2O3/c13-9-2-10-5(1-6(9)12(16)17)7-3-18-4-8(7)11(14)15-10/h1-2H,3-4H2,(H2,14,15)(H,16,17).
What are the key properties of 4-amino-7-fluoro-1,3-dihydrofuro[3,4-c]quinoline-8-carboxylic acid?
4-amino-7-fluoro-1,3-dihydrofuro[3,4-c]quinoline-8-carboxylic acid has a molecular weight of 248.21 g/mol, XLogP of 1.68, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-7-fluoro-1,3-dihydrofuro[3,4-c]quinoline-8-carboxylic acid is sourced from PubChem (CID 163383514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).