2-[(5-fluoro-4-hydroxy-2-oxo-1-prop-2-enoxyquinoline-3-carbonyl)amino]acetic acid

C15H13FN2O6 — CID 118451784

IUPAC2-[(5-fluoro-4-hydroxy-2-oxo-1-prop-2-enoxyquinoline-3-carbonyl)amino]acetic acid
SMILESC=CCOn1c(=O)c(C(=O)NCC(=O)O)c(O)c2c(F)cccc21
InChIInChI=1S/C15H13FN2O6/c1-2-6-24-18-9-5-3-4-8(16)11(9)13(21)12(15(18)23)14(22)17-7-10(19)20/h2-5,21H,1,6-7H2,(H,17,22)(H,19,20)
InChIKeyIIOLEQVHEMPYPZ-UHFFFAOYSA-N
MW336.28 g/mol
LogP0.28
Rot. Bonds6

About 2-[(5-fluoro-4-hydroxy-2-oxo-1-prop-2-enoxyquinoline-3-carbonyl)amino]acetic acid

2-[(5-fluoro-4-hydroxy-2-oxo-1-prop-2-enoxyquinoline-3-carbonyl)amino]acetic acid (PubChem CID 118451784) has the molecular formula C15H13FN2O6 and a molecular weight of 336.28 g/mol. Its IUPAC name is 2-[(5-fluoro-4-hydroxy-2-oxo-1-prop-2-enoxyquinoline-3-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(5-fluoro-4-hydroxy-2-oxo-1-prop-2-enoxyquinoline-3-carbonyl)amino]acetic acid
PubChem CID118451784
Molecular FormulaC15H13FN2O6
Molecular Weight336.28 g/mol
Exact Mass336.08
IUPAC Name2-[(5-fluoro-4-hydroxy-2-oxo-1-prop-2-enoxyquinoline-3-carbonyl)amino]acetic acid
SMILESC=CCOn1c(=O)c(C(=O)NCC(=O)O)c(O)c2c(F)cccc21
InChIInChI=1S/C15H13FN2O6/c1-2-6-24-18-9-5-3-4-8(16)11(9)13(21)12(15(18)23)14(22)17-7-10(19)20/h2-5,21H,1,6-7H2,(H,17,22)(H,19,20)
InChIKeyIIOLEQVHEMPYPZ-UHFFFAOYSA-N
XLogP0.28
TPSA117.86 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.28
LogP ≤ 50.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-[(5-fluoro-4-hydroxy-2-oxo-1-prop-2-enoxyquinoline-3-carbonyl)amino]acetic acid with MolForge

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Launch Full Analysis

Related Compounds

2-[[4-hydroxy-2-oxo-1-(2,2,2-trifluoroethoxy)quinoline-3-carbonyl]amino]acetic acid
CID 118451781
2-[[1-[(2,6-difluorophenyl)methyl]-4-hydroxy-2-oxopyrrolo[1,2-b]pyridazine-3-carbonyl]amino]acetic acid
CID 54751148
2-[[1-[(2,3-difluorophenyl)methyl]-6-fluoro-4-hydroxy-2-oxoquinoline-3-carbonyl]amino]acetic acid
CID 70316876
2-[(4-aminooxy-2-oxo-1-phenylmethoxyquinoline-3-carbonyl)amino]acetic acid
CID 90269450
2-[[1-(2,3-difluorophenyl)-2,4-dihydroxy-5-(2-methylpropylcarbamoyl)-6-oxopyridine-3-carbonyl]amino]acetic acid
CID 58238190
(2S)-2-[[1-(cyclopropylmethoxy)-4-hydroxy-2-oxoquinoline-3-carbonyl]amino]-3-methylbutanoic acid;(2S)-2-[[1-(cyclopropylmethoxy)-4-hydroxy-2-oxoquinoline-3-carbonyl]amino]-4-methylpentanoic acid;3-[[1-(cyclopropylmethoxy)-4-hydroxy-2-oxoquinoline-3-carbonyl]amino]propanoic acid;2-[(4-hydroxy-7-methyl-2-oxo-1-prop-2-enoxyquinoline-3-carbonyl)amino]acetic acid;methyl 2-[[1-(cyclopropylmethoxy)-4-hydroxy-2-oxoquinoline-3-carbonyl]amino]acetate
CID 159482015
2-[(4-hydroxy-1-methyl-2-oxo-7-phenylquinoline-3-carbonyl)amino]acetic acid
CID 54681700
2-[[7-(2-fluoro-3-methylphenoxy)-4-hydroxy-1-methyl-2-oxoquinoline-3-carbonyl]amino]acetic acid
CID 130217096
N-ethyl-4-hydroxy-2-oxo-1-propoxyquinoline-3-carboxamide
CID 134233784
methyl 2-[(1-but-2-ynoxy-4-hydroxy-2-oxoquinoline-3-carbonyl)amino]acetate
CID 90269438
2-[[4-hydroxy-2-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolo[1,2-b]pyridazine-3-carbonyl]amino]acetic acid
CID 54751146
2-[[1-(2-cyclopropylethyl)-4-hydroxy-2-oxoquinoline-3-carbonyl]amino]acetic acid
CID 54685224

Frequently Asked Questions

What is the IUPAC name of 2-[(5-fluoro-4-hydroxy-2-oxo-1-prop-2-enoxyquinoline-3-carbonyl)amino]acetic acid?
The IUPAC name of 2-[(5-fluoro-4-hydroxy-2-oxo-1-prop-2-enoxyquinoline-3-carbonyl)amino]acetic acid (CID 118451784) is 2-[(5-fluoro-4-hydroxy-2-oxo-1-prop-2-enoxyquinoline-3-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[(5-fluoro-4-hydroxy-2-oxo-1-prop-2-enoxyquinoline-3-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[(5-fluoro-4-hydroxy-2-oxo-1-prop-2-enoxyquinoline-3-carbonyl)amino]acetic acid is C=CCOn1c(=O)c(C(=O)NCC(=O)O)c(O)c2c(F)cccc21.
What is the InChIKey of 2-[(5-fluoro-4-hydroxy-2-oxo-1-prop-2-enoxyquinoline-3-carbonyl)amino]acetic acid?
The InChIKey is IIOLEQVHEMPYPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O6/c1-2-6-24-18-9-5-3-4-8(16)11(9)13(21)12(15(18)23)14(22)17-7-10(19)20/h2-5,21H,1,6-7H2,(H,17,22)(H,19,20).
What are the key properties of 2-[(5-fluoro-4-hydroxy-2-oxo-1-prop-2-enoxyquinoline-3-carbonyl)amino]acetic acid?
2-[(5-fluoro-4-hydroxy-2-oxo-1-prop-2-enoxyquinoline-3-carbonyl)amino]acetic acid has a molecular weight of 336.28 g/mol, XLogP of 0.28, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-fluoro-4-hydroxy-2-oxo-1-prop-2-enoxyquinoline-3-carbonyl)amino]acetic acid is sourced from PubChem (CID 118451784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).