2-[[7-(2-fluoro-3-methylphenoxy)-4-hydroxy-1-methyl-2-oxoquinoline-3-carbonyl]amino]acetic acid

C20H17FN2O6 — CID 130217096

IUPAC2-[[7-(2-fluoro-3-methylphenoxy)-4-hydroxy-1-methyl-2-oxoquinoline-3-carbonyl]amino]acetic acid
SMILESCc1cccc(Oc2ccc3c(O)c(C(=O)NCC(=O)O)c(=O)n(C)c3c2)c1F
InChIInChI=1S/C20H17FN2O6/c1-10-4-3-5-14(17(10)21)29-11-6-7-12-13(8-11)23(2)20(28)16(18(12)26)19(27)22-9-15(24)25/h3-8,26H,9H2,1-2H3,(H,22,27)(H,24,25)
InChIKeyIMLIOWPKSDQXCN-UHFFFAOYSA-N
MW400.36 g/mol
LogP2.30
Rot. Bonds5

About 2-[[7-(2-fluoro-3-methylphenoxy)-4-hydroxy-1-methyl-2-oxoquinoline-3-carbonyl]amino]acetic acid

2-[[7-(2-fluoro-3-methylphenoxy)-4-hydroxy-1-methyl-2-oxoquinoline-3-carbonyl]amino]acetic acid (PubChem CID 130217096) has the molecular formula C20H17FN2O6 and a molecular weight of 400.36 g/mol. Its IUPAC name is 2-[[7-(2-fluoro-3-methylphenoxy)-4-hydroxy-1-methyl-2-oxoquinoline-3-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[7-(2-fluoro-3-methylphenoxy)-4-hydroxy-1-methyl-2-oxoquinoline-3-carbonyl]amino]acetic acid
PubChem CID130217096
Molecular FormulaC20H17FN2O6
Molecular Weight400.36 g/mol
Exact Mass400.11
IUPAC Name2-[[7-(2-fluoro-3-methylphenoxy)-4-hydroxy-1-methyl-2-oxoquinoline-3-carbonyl]amino]acetic acid
SMILESCc1cccc(Oc2ccc3c(O)c(C(=O)NCC(=O)O)c(=O)n(C)c3c2)c1F
InChIInChI=1S/C20H17FN2O6/c1-10-4-3-5-14(17(10)21)29-11-6-7-12-13(8-11)23(2)20(28)16(18(12)26)19(27)22-9-15(24)25/h3-8,26H,9H2,1-2H3,(H,22,27)(H,24,25)
InChIKeyIMLIOWPKSDQXCN-UHFFFAOYSA-N
XLogP2.30
TPSA117.86 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.36
LogP ≤ 52.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-[[7-(2-fluoro-3-methylphenoxy)-4-hydroxy-1-methyl-2-oxoquinoline-3-carbonyl]amino]acetic acid with MolForge

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Related Compounds

2-[[7-(2,5-dichlorophenoxy)-4-hydroxy-1-methyl-2-oxoquinoline-3-carbonyl]amino]acetic acid
CID 118934735
2-[[4-hydroxy-1-methyl-7-(2-methylphenyl)-2-oxoquinoline-3-carbonyl]amino]acetic acid
CID 59340054
2-[(4-hydroxy-1-methyl-2-oxo-7-phenylquinoline-3-carbonyl)amino]acetic acid
CID 54681700
4-[7-(2-fluorophenoxy)-4-hydroxy-1-methyl-2-oxoquinolin-3-yl]-4-oxobutanoic acid
CID 157266952
4-[7-(2-chloro-3-fluorophenoxy)-4-hydroxy-1-methyl-2-oxoquinolin-3-yl]-4-oxobutanoic acid
CID 161384700
2-[(4-hydroxy-1-methyl-2-oxo-7-thiophen-3-ylquinoline-3-carbonyl)amino]acetic acid
CID 59340126
ethyl 4-hydroxy-1-methyl-2-oxo-7-phenoxyquinoline-3-carboxylate
CID 76852698
7-(2,3-dichlorophenoxy)-1-methyl-4-nitroso-N-(2-nitroso-2-oxoethyl)-2-oxoquinoline-3-carboxamide
CID 130216670
2-[(6-cyano-4-hydroxy-1-methyl-2-oxoquinoline-3-carbonyl)amino]acetic acid
CID 59340046
2-[[1-[(2,3-difluorophenyl)methyl]-6-fluoro-4-hydroxy-2-oxoquinoline-3-carbonyl]amino]acetic acid
CID 70316876
N-[(4-fluorophenyl)methyl]-4-hydroxy-1-methyl-2-oxoquinoline-3-carboxamide
CID 54697635
butyl 2-[(7-bromo-4-hydroxy-1-methyl-2-oxoquinoline-3-carbonyl)amino]acetate
CID 86643521

Frequently Asked Questions

What is the IUPAC name of 2-[[7-(2-fluoro-3-methylphenoxy)-4-hydroxy-1-methyl-2-oxoquinoline-3-carbonyl]amino]acetic acid?
The IUPAC name of 2-[[7-(2-fluoro-3-methylphenoxy)-4-hydroxy-1-methyl-2-oxoquinoline-3-carbonyl]amino]acetic acid (CID 130217096) is 2-[[7-(2-fluoro-3-methylphenoxy)-4-hydroxy-1-methyl-2-oxoquinoline-3-carbonyl]amino]acetic acid.
What is the SMILES notation for 2-[[7-(2-fluoro-3-methylphenoxy)-4-hydroxy-1-methyl-2-oxoquinoline-3-carbonyl]amino]acetic acid?
The canonical SMILES for 2-[[7-(2-fluoro-3-methylphenoxy)-4-hydroxy-1-methyl-2-oxoquinoline-3-carbonyl]amino]acetic acid is Cc1cccc(Oc2ccc3c(O)c(C(=O)NCC(=O)O)c(=O)n(C)c3c2)c1F.
What is the InChIKey of 2-[[7-(2-fluoro-3-methylphenoxy)-4-hydroxy-1-methyl-2-oxoquinoline-3-carbonyl]amino]acetic acid?
The InChIKey is IMLIOWPKSDQXCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN2O6/c1-10-4-3-5-14(17(10)21)29-11-6-7-12-13(8-11)23(2)20(28)16(18(12)26)19(27)22-9-15(24)25/h3-8,26H,9H2,1-2H3,(H,22,27)(H,24,25).
What are the key properties of 2-[[7-(2-fluoro-3-methylphenoxy)-4-hydroxy-1-methyl-2-oxoquinoline-3-carbonyl]amino]acetic acid?
2-[[7-(2-fluoro-3-methylphenoxy)-4-hydroxy-1-methyl-2-oxoquinoline-3-carbonyl]amino]acetic acid has a molecular weight of 400.36 g/mol, XLogP of 2.30, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[7-(2-fluoro-3-methylphenoxy)-4-hydroxy-1-methyl-2-oxoquinoline-3-carbonyl]amino]acetic acid is sourced from PubChem (CID 130217096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).