2-[[1-[(2,3-difluorophenyl)methyl]-6-fluoro-4-hydroxy-2-oxoquinoline-3-carbonyl]amino]acetic acid

C19H13F3N2O5 — CID 70316876

IUPAC2-[[1-[(2,3-difluorophenyl)methyl]-6-fluoro-4-hydroxy-2-oxoquinoline-3-carbonyl]amino]acetic acid
SMILESO=C(O)CNC(=O)c1c(O)c2cc(F)ccc2n(Cc2cccc(F)c2F)c1=O
InChIInChI=1S/C19H13F3N2O5/c20-10-4-5-13-11(6-10)17(27)15(18(28)23-7-14(25)26)19(29)24(13)8-9-2-1-3-12(21)16(9)22/h1-6,27H,7-8H2,(H,23,28)(H,25,26)
InChIKeyAREUUTTYAVGDDO-UHFFFAOYSA-N
MW406.32 g/mol
LogP1.99
Rot. Bonds5

About 2-[[1-[(2,3-difluorophenyl)methyl]-6-fluoro-4-hydroxy-2-oxoquinoline-3-carbonyl]amino]acetic acid

2-[[1-[(2,3-difluorophenyl)methyl]-6-fluoro-4-hydroxy-2-oxoquinoline-3-carbonyl]amino]acetic acid (PubChem CID 70316876) has the molecular formula C19H13F3N2O5 and a molecular weight of 406.32 g/mol. Its IUPAC name is 2-[[1-[(2,3-difluorophenyl)methyl]-6-fluoro-4-hydroxy-2-oxoquinoline-3-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[1-[(2,3-difluorophenyl)methyl]-6-fluoro-4-hydroxy-2-oxoquinoline-3-carbonyl]amino]acetic acid
PubChem CID70316876
Molecular FormulaC19H13F3N2O5
Molecular Weight406.32 g/mol
Exact Mass406.08
IUPAC Name2-[[1-[(2,3-difluorophenyl)methyl]-6-fluoro-4-hydroxy-2-oxoquinoline-3-carbonyl]amino]acetic acid
SMILESO=C(O)CNC(=O)c1c(O)c2cc(F)ccc2n(Cc2cccc(F)c2F)c1=O
InChIInChI=1S/C19H13F3N2O5/c20-10-4-5-13-11(6-10)17(27)15(18(28)23-7-14(25)26)19(29)24(13)8-9-2-1-3-12(21)16(9)22/h1-6,27H,7-8H2,(H,23,28)(H,25,26)
InChIKeyAREUUTTYAVGDDO-UHFFFAOYSA-N
XLogP1.99
TPSA108.63 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.32
LogP ≤ 51.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[[1-[(2,3-difluorophenyl)methyl]-6-fluoro-4-hydroxy-2-oxoquinoline-3-carbonyl]amino]acetic acid with MolForge

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Launch Full Analysis

Related Compounds

2-[[6-fluoro-4-hydroxy-2-oxo-1-(3-phenylpropyl)quinoline-3-carbonyl]amino]acetic acid
CID 70316747
2-[[6-fluoro-4-hydroxy-2-oxo-1-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methyl]quinoline-3-carbonyl]amino]acetic acid
CID 54685191
2-[(1-benzyl-4,6,7-trihydroxy-2-oxoquinoline-3-carbonyl)amino]acetic acid
CID 54685179
2-[(1-benzyl-4-hydroxy-2-oxo-6-propan-2-yloxyquinoline-3-carbonyl)amino]acetic acid
CID 54685233
2-[[1-cyclohexyl-3-[(2,3-difluorophenyl)methyl]-4-hydroxy-2,6-dioxopyrimidine-5-carbonyl]amino]acetic acid
CID 24830878
2-[(1-benzyl-4-hydroxy-2-oxo-6-propoxyquinoline-3-carbonyl)amino]acetic acid
CID 143432319
2-[[7-(2-fluoro-3-methylphenoxy)-4-hydroxy-1-methyl-2-oxoquinoline-3-carbonyl]amino]acetic acid
CID 130217096
2-[[1-(2-cyclopropylethyl)-4-hydroxy-2-oxoquinoline-3-carbonyl]amino]acetic acid
CID 54685224
2-[[1-[(2,6-difluorophenyl)methyl]-4-hydroxy-2-oxopyrrolo[1,2-b]pyridazine-3-carbonyl]amino]acetic acid
CID 54751148
2-[[1-[(4-tert-butylphenyl)methyl]-7-chloro-4-hydroxy-2-oxoquinoline-3-carbonyl]amino]acetic acid
CID 54685209
2-[[1-[4-(1,3-dioxoisoindol-2-yl)butyl]-4-hydroxy-2-oxoquinoline-3-carbonyl]amino]acetic acid
CID 54685150
2-[(6-cyano-4-hydroxy-1-methyl-2-oxoquinoline-3-carbonyl)amino]acetic acid
CID 59340046

Frequently Asked Questions

What is the IUPAC name of 2-[[1-[(2,3-difluorophenyl)methyl]-6-fluoro-4-hydroxy-2-oxoquinoline-3-carbonyl]amino]acetic acid?
The IUPAC name of 2-[[1-[(2,3-difluorophenyl)methyl]-6-fluoro-4-hydroxy-2-oxoquinoline-3-carbonyl]amino]acetic acid (CID 70316876) is 2-[[1-[(2,3-difluorophenyl)methyl]-6-fluoro-4-hydroxy-2-oxoquinoline-3-carbonyl]amino]acetic acid.
What is the SMILES notation for 2-[[1-[(2,3-difluorophenyl)methyl]-6-fluoro-4-hydroxy-2-oxoquinoline-3-carbonyl]amino]acetic acid?
The canonical SMILES for 2-[[1-[(2,3-difluorophenyl)methyl]-6-fluoro-4-hydroxy-2-oxoquinoline-3-carbonyl]amino]acetic acid is O=C(O)CNC(=O)c1c(O)c2cc(F)ccc2n(Cc2cccc(F)c2F)c1=O.
What is the InChIKey of 2-[[1-[(2,3-difluorophenyl)methyl]-6-fluoro-4-hydroxy-2-oxoquinoline-3-carbonyl]amino]acetic acid?
The InChIKey is AREUUTTYAVGDDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F3N2O5/c20-10-4-5-13-11(6-10)17(27)15(18(28)23-7-14(25)26)19(29)24(13)8-9-2-1-3-12(21)16(9)22/h1-6,27H,7-8H2,(H,23,28)(H,25,26).
What are the key properties of 2-[[1-[(2,3-difluorophenyl)methyl]-6-fluoro-4-hydroxy-2-oxoquinoline-3-carbonyl]amino]acetic acid?
2-[[1-[(2,3-difluorophenyl)methyl]-6-fluoro-4-hydroxy-2-oxoquinoline-3-carbonyl]amino]acetic acid has a molecular weight of 406.32 g/mol, XLogP of 1.99, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[(2,3-difluorophenyl)methyl]-6-fluoro-4-hydroxy-2-oxoquinoline-3-carbonyl]amino]acetic acid is sourced from PubChem (CID 70316876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).