2-[[4-hydroxy-8-methoxy-2-oxo-6-(trifluoromethyl)-1H-quinoline-3-carbonyl]amino]acetic acid

C14H11F3N2O6 — CID 90258096

IUPAC2-[[4-hydroxy-8-methoxy-2-oxo-6-(trifluoromethyl)-1H-quinoline-3-carbonyl]amino]acetic acid
SMILESCOc1cc(C(F)(F)F)cc2c(O)c(C(=O)NCC(=O)O)c(=O)[nH]c12
InChIInChI=1S/C14H11F3N2O6/c1-25-7-3-5(14(15,16)17)2-6-10(7)19-13(24)9(11(6)22)12(23)18-4-8(20)21/h2-3H,4H2,1H3,(H,18,23)(H,20,21)(H2,19,22,24)
InChIKeyAFXXNQGIBZVYOB-UHFFFAOYSA-N
MW360.24 g/mol
LogP1.08
Rot. Bonds4

About 2-[[4-hydroxy-8-methoxy-2-oxo-6-(trifluoromethyl)-1H-quinoline-3-carbonyl]amino]acetic acid

2-[[4-hydroxy-8-methoxy-2-oxo-6-(trifluoromethyl)-1H-quinoline-3-carbonyl]amino]acetic acid (PubChem CID 90258096) has the molecular formula C14H11F3N2O6 and a molecular weight of 360.24 g/mol. Its IUPAC name is 2-[[4-hydroxy-8-methoxy-2-oxo-6-(trifluoromethyl)-1H-quinoline-3-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[4-hydroxy-8-methoxy-2-oxo-6-(trifluoromethyl)-1H-quinoline-3-carbonyl]amino]acetic acid
PubChem CID90258096
Molecular FormulaC14H11F3N2O6
Molecular Weight360.24 g/mol
Exact Mass360.06
IUPAC Name2-[[4-hydroxy-8-methoxy-2-oxo-6-(trifluoromethyl)-1H-quinoline-3-carbonyl]amino]acetic acid
SMILESCOc1cc(C(F)(F)F)cc2c(O)c(C(=O)NCC(=O)O)c(=O)[nH]c12
InChIInChI=1S/C14H11F3N2O6/c1-25-7-3-5(14(15,16)17)2-6-10(7)19-13(24)9(11(6)22)12(23)18-4-8(20)21/h2-3H,4H2,1H3,(H,18,23)(H,20,21)(H2,19,22,24)
InChIKeyAFXXNQGIBZVYOB-UHFFFAOYSA-N
XLogP1.08
TPSA128.72 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.24
LogP ≤ 51.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 2-[[4-hydroxy-8-methoxy-2-oxo-6-(trifluoromethyl)-1H-quinoline-3-carbonyl]amino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[4-hydroxy-8-methoxy-2-oxo-6-(trifluoromethyl)-1H-quinoline-3-carbonyl]amino]acetic acid?
The IUPAC name of 2-[[4-hydroxy-8-methoxy-2-oxo-6-(trifluoromethyl)-1H-quinoline-3-carbonyl]amino]acetic acid (CID 90258096) is 2-[[4-hydroxy-8-methoxy-2-oxo-6-(trifluoromethyl)-1H-quinoline-3-carbonyl]amino]acetic acid.
What is the SMILES notation for 2-[[4-hydroxy-8-methoxy-2-oxo-6-(trifluoromethyl)-1H-quinoline-3-carbonyl]amino]acetic acid?
The canonical SMILES for 2-[[4-hydroxy-8-methoxy-2-oxo-6-(trifluoromethyl)-1H-quinoline-3-carbonyl]amino]acetic acid is COc1cc(C(F)(F)F)cc2c(O)c(C(=O)NCC(=O)O)c(=O)[nH]c12.
What is the InChIKey of 2-[[4-hydroxy-8-methoxy-2-oxo-6-(trifluoromethyl)-1H-quinoline-3-carbonyl]amino]acetic acid?
The InChIKey is AFXXNQGIBZVYOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N2O6/c1-25-7-3-5(14(15,16)17)2-6-10(7)19-13(24)9(11(6)22)12(23)18-4-8(20)21/h2-3H,4H2,1H3,(H,18,23)(H,20,21)(H2,19,22,24).
What are the key properties of 2-[[4-hydroxy-8-methoxy-2-oxo-6-(trifluoromethyl)-1H-quinoline-3-carbonyl]amino]acetic acid?
2-[[4-hydroxy-8-methoxy-2-oxo-6-(trifluoromethyl)-1H-quinoline-3-carbonyl]amino]acetic acid has a molecular weight of 360.24 g/mol, XLogP of 1.08, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-hydroxy-8-methoxy-2-oxo-6-(trifluoromethyl)-1H-quinoline-3-carbonyl]amino]acetic acid is sourced from PubChem (CID 90258096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).