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

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Related Compounds

2-[[4-hydroxy-6-(5-methoxy-2-pyridinyl)-2-oxo-8-phenylmethoxy-1H-quinoline-3-carbonyl]amino]acetic acid
CID 90258245
3-hydroxy-8-methoxy-4-(2-methylphenyl)-6-(trifluoromethyl)-1H-quinolin-2-one
CID 166884556
2-[[8-[(4-bromophenyl)methyl]-6-fluoro-4-hydroxy-2-oxo-1H-quinoline-3-carbonyl]amino]acetic acid
CID 69397091
2-[(4-hydroxy-2-oxo-6-phenoxy-8-prop-2-enoxy-1H-quinoline-3-carbonyl)amino]acetic acid
CID 90258751
2-[(4-hydroxy-2-oxo-7-propan-2-yloxy-1H-quinoline-3-carbonyl)amino]acetic acid
CID 90258389
2-[[10-hydroxy-7-methoxy-12-oxo-3-[4-(trifluoromethyl)phenyl]-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13),10-tetraene-11-carbonyl]amino]acetic acid
CID 121246815
1-[2,6-dimethoxy-4-(trifluoromethyl)phenyl]ethanone
CID 84803559
2-[(7-heptan-4-yloxy-4-hydroxy-2-oxo-1H-quinoline-3-carbonyl)amino]acetic acid
CID 90258066
2-[(7-amino-8-benzyl-4-hydroxy-2-oxo-1H-quinoline-3-carbonyl)amino]acetic acid
CID 69398878
4-hydroxy-N-(3-hydroxypropyl)-6,7-dimethoxy-2-oxo-1H-quinoline-3-carboxamide
CID 54682415
2-[[4-hydroxy-7-methoxy-2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carbonyl]amino]acetic acid
CID 54751436
N-[(3,4-dimethoxyphenyl)methyl]-4-hydroxy-6,7-dimethoxy-2-oxo-1H-quinoline-3-carboxamide
CID 54682420

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).