2-[[4-hydroxy-2-oxo-1-(2,2,2-trifluoroethoxy)quinoline-3-carbonyl]amino]acetic acid

C14H11F3N2O6 — CID 118451781

IUPAC2-[[4-hydroxy-2-oxo-1-(2,2,2-trifluoroethoxy)quinoline-3-carbonyl]amino]acetic acid
SMILESO=C(O)CNC(=O)c1c(O)c2ccccc2n(OCC(F)(F)F)c1=O
InChIInChI=1S/C14H11F3N2O6/c15-14(16,17)6-25-19-8-4-2-1-3-7(8)11(22)10(13(19)24)12(23)18-5-9(20)21/h1-4,22H,5-6H2,(H,18,23)(H,20,21)
InChIKeyXSTIGCZNHKBWRL-UHFFFAOYSA-N
MW360.24 g/mol
LogP0.51
Rot. Bonds5

About 2-[[4-hydroxy-2-oxo-1-(2,2,2-trifluoroethoxy)quinoline-3-carbonyl]amino]acetic acid

2-[[4-hydroxy-2-oxo-1-(2,2,2-trifluoroethoxy)quinoline-3-carbonyl]amino]acetic acid (PubChem CID 118451781) has the molecular formula C14H11F3N2O6 and a molecular weight of 360.24 g/mol. Its IUPAC name is 2-[[4-hydroxy-2-oxo-1-(2,2,2-trifluoroethoxy)quinoline-3-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[4-hydroxy-2-oxo-1-(2,2,2-trifluoroethoxy)quinoline-3-carbonyl]amino]acetic acid
PubChem CID118451781
Molecular FormulaC14H11F3N2O6
Molecular Weight360.24 g/mol
Exact Mass360.06
IUPAC Name2-[[4-hydroxy-2-oxo-1-(2,2,2-trifluoroethoxy)quinoline-3-carbonyl]amino]acetic acid
SMILESO=C(O)CNC(=O)c1c(O)c2ccccc2n(OCC(F)(F)F)c1=O
InChIInChI=1S/C14H11F3N2O6/c15-14(16,17)6-25-19-8-4-2-1-3-7(8)11(22)10(13(19)24)12(23)18-5-9(20)21/h1-4,22H,5-6H2,(H,18,23)(H,20,21)
InChIKeyXSTIGCZNHKBWRL-UHFFFAOYSA-N
XLogP0.51
TPSA117.86 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.24
LogP ≤ 50.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-[[4-hydroxy-2-oxo-1-(2,2,2-trifluoroethoxy)quinoline-3-carbonyl]amino]acetic acid with MolForge

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Related Compounds

methyl 2-[(1-but-2-ynoxy-4-hydroxy-2-oxoquinoline-3-carbonyl)amino]acetate
CID 90269438
N-ethyl-4-hydroxy-2-oxo-1-propoxyquinoline-3-carboxamide
CID 134233784
2-[(4-aminooxy-2-oxo-1-phenylmethoxyquinoline-3-carbonyl)amino]acetic acid
CID 90269450
2-[(5-fluoro-4-hydroxy-2-oxo-1-prop-2-enoxyquinoline-3-carbonyl)amino]acetic acid
CID 118451784
2-[[1-(2-cyclopropylethyl)-4-hydroxy-2-oxoquinoline-3-carbonyl]amino]acetic acid
CID 54685224
2-[[1-(2-cyclohexylethyl)-4-hydroxy-2-oxoquinoline-3-carbonyl]amino]acetic acid
CID 54685207
2-[[1-[4-(1,3-dioxoisoindol-2-yl)butyl]-4-hydroxy-2-oxoquinoline-3-carbonyl]amino]acetic acid
CID 54685150
2-[(4-hydroxy-1-methyl-2-oxo-7-phenylquinoline-3-carbonyl)amino]acetic acid
CID 54681700
2-[(1-benzyl-4,6,7-trihydroxy-2-oxoquinoline-3-carbonyl)amino]acetic acid
CID 54685179
1-[(4-cyanophenyl)methoxy]-N-ethyl-4-hydroxy-2-oxoquinoline-3-carboxamide;formic acid
CID 144658108
ethyl 3-aminoiodanuidylpropanoate;ethyl 2-[(1-butoxy-4-hydroxy-2-oxoquinoline-3-carbonyl)amino]acetate;ethyl 1-butoxy-4-hydroxy-2-oxoquinoline-3-carboxylate;iodoethane
CID 159040048
2-[[4-hydroxy-1-methyl-7-(2-methylphenyl)-2-oxoquinoline-3-carbonyl]amino]acetic acid
CID 59340054

Frequently Asked Questions

What is the IUPAC name of 2-[[4-hydroxy-2-oxo-1-(2,2,2-trifluoroethoxy)quinoline-3-carbonyl]amino]acetic acid?
The IUPAC name of 2-[[4-hydroxy-2-oxo-1-(2,2,2-trifluoroethoxy)quinoline-3-carbonyl]amino]acetic acid (CID 118451781) is 2-[[4-hydroxy-2-oxo-1-(2,2,2-trifluoroethoxy)quinoline-3-carbonyl]amino]acetic acid.
What is the SMILES notation for 2-[[4-hydroxy-2-oxo-1-(2,2,2-trifluoroethoxy)quinoline-3-carbonyl]amino]acetic acid?
The canonical SMILES for 2-[[4-hydroxy-2-oxo-1-(2,2,2-trifluoroethoxy)quinoline-3-carbonyl]amino]acetic acid is O=C(O)CNC(=O)c1c(O)c2ccccc2n(OCC(F)(F)F)c1=O.
What is the InChIKey of 2-[[4-hydroxy-2-oxo-1-(2,2,2-trifluoroethoxy)quinoline-3-carbonyl]amino]acetic acid?
The InChIKey is XSTIGCZNHKBWRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N2O6/c15-14(16,17)6-25-19-8-4-2-1-3-7(8)11(22)10(13(19)24)12(23)18-5-9(20)21/h1-4,22H,5-6H2,(H,18,23)(H,20,21).
What are the key properties of 2-[[4-hydroxy-2-oxo-1-(2,2,2-trifluoroethoxy)quinoline-3-carbonyl]amino]acetic acid?
2-[[4-hydroxy-2-oxo-1-(2,2,2-trifluoroethoxy)quinoline-3-carbonyl]amino]acetic acid has a molecular weight of 360.24 g/mol, XLogP of 0.51, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-hydroxy-2-oxo-1-(2,2,2-trifluoroethoxy)quinoline-3-carbonyl]amino]acetic acid is sourced from PubChem (CID 118451781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).