4-amino-3-(fluoromethyl)-1,3-dihydrofuro[3,4-c]quinoline-8-carboxylic acid;hydrochloride

C13H12ClFN2O3 — CID 163383253

IUPAC4-amino-3-(fluoromethyl)-1,3-dihydrofuro[3,4-c]quinoline-8-carboxylic acid;hydrochloride
SMILESCl.Nc1nc2ccc(C(=O)O)cc2c2c1C(CF)OC2
InChIInChI=1S/C13H11FN2O3.ClH/c14-4-10-11-8(5-19-10)7-3-6(13(17)18)1-2-9(7)16-12(11)15;/h1-3,10H,4-5H2,(H2,15,16)(H,17,18);1H
InChIKeyAWWUBRNGBADEGE-UHFFFAOYSA-N
MW298.70 g/mol
LogP2.48
Rot. Bonds2

About 4-amino-3-(fluoromethyl)-1,3-dihydrofuro[3,4-c]quinoline-8-carboxylic acid;hydrochloride

4-amino-3-(fluoromethyl)-1,3-dihydrofuro[3,4-c]quinoline-8-carboxylic acid;hydrochloride (PubChem CID 163383253) has the molecular formula C13H12ClFN2O3 and a molecular weight of 298.70 g/mol. Its IUPAC name is 4-amino-3-(fluoromethyl)-1,3-dihydrofuro[3,4-c]quinoline-8-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name4-amino-3-(fluoromethyl)-1,3-dihydrofuro[3,4-c]quinoline-8-carboxylic acid;hydrochloride
PubChem CID163383253
Molecular FormulaC13H12ClFN2O3
Molecular Weight298.70 g/mol
Exact Mass298.05
IUPAC Name4-amino-3-(fluoromethyl)-1,3-dihydrofuro[3,4-c]quinoline-8-carboxylic acid;hydrochloride
SMILESCl.Nc1nc2ccc(C(=O)O)cc2c2c1C(CF)OC2
InChIInChI=1S/C13H11FN2O3.ClH/c14-4-10-11-8(5-19-10)7-3-6(13(17)18)1-2-9(7)16-12(11)15;/h1-3,10H,4-5H2,(H2,15,16)(H,17,18);1H
InChIKeyAWWUBRNGBADEGE-UHFFFAOYSA-N
XLogP2.48
TPSA85.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.70
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(fluoromethyl)-1,3-dihydrofuro[3,4-c]quinoline-8-carboxylic acid;hydrochloride?
The IUPAC name of 4-amino-3-(fluoromethyl)-1,3-dihydrofuro[3,4-c]quinoline-8-carboxylic acid;hydrochloride (CID 163383253) is 4-amino-3-(fluoromethyl)-1,3-dihydrofuro[3,4-c]quinoline-8-carboxylic acid;hydrochloride.
What is the SMILES notation for 4-amino-3-(fluoromethyl)-1,3-dihydrofuro[3,4-c]quinoline-8-carboxylic acid;hydrochloride?
The canonical SMILES for 4-amino-3-(fluoromethyl)-1,3-dihydrofuro[3,4-c]quinoline-8-carboxylic acid;hydrochloride is Cl.Nc1nc2ccc(C(=O)O)cc2c2c1C(CF)OC2.
What is the InChIKey of 4-amino-3-(fluoromethyl)-1,3-dihydrofuro[3,4-c]quinoline-8-carboxylic acid;hydrochloride?
The InChIKey is AWWUBRNGBADEGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN2O3.ClH/c14-4-10-11-8(5-19-10)7-3-6(13(17)18)1-2-9(7)16-12(11)15;/h1-3,10H,4-5H2,(H2,15,16)(H,17,18);1H.
What are the key properties of 4-amino-3-(fluoromethyl)-1,3-dihydrofuro[3,4-c]quinoline-8-carboxylic acid;hydrochloride?
4-amino-3-(fluoromethyl)-1,3-dihydrofuro[3,4-c]quinoline-8-carboxylic acid;hydrochloride has a molecular weight of 298.70 g/mol, XLogP of 2.48, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(fluoromethyl)-1,3-dihydrofuro[3,4-c]quinoline-8-carboxylic acid;hydrochloride is sourced from PubChem (CID 163383253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).