2-[4-[2-(2-fluoroanilino)-2-oxoethoxy]-3-methoxyphenyl]quinoline-4-carboxylic acid

C25H19FN2O5 — CID 164624103

IUPAC2-[4-[2-(2-fluoroanilino)-2-oxoethoxy]-3-methoxyphenyl]quinoline-4-carboxylic acid
SMILESCOc1cc(-c2cc(C(=O)O)c3ccccc3n2)ccc1OCC(=O)Nc1ccccc1F
InChIInChI=1S/C25H19FN2O5/c1-32-23-12-15(21-13-17(25(30)31)16-6-2-4-8-19(16)27-21)10-11-22(23)33-14-24(29)28-20-9-5-3-7-18(20)26/h2-13H,14H2,1H3,(H,28,29)(H,30,31)
InChIKeyUNKSBROOQJMLQR-UHFFFAOYSA-N
MW446.43 g/mol
LogP4.77
Rot. Bonds7

About 2-[4-[2-(2-fluoroanilino)-2-oxoethoxy]-3-methoxyphenyl]quinoline-4-carboxylic acid

2-[4-[2-(2-fluoroanilino)-2-oxoethoxy]-3-methoxyphenyl]quinoline-4-carboxylic acid (PubChem CID 164624103) has the molecular formula C25H19FN2O5 and a molecular weight of 446.43 g/mol. Its IUPAC name is 2-[4-[2-(2-fluoroanilino)-2-oxoethoxy]-3-methoxyphenyl]quinoline-4-carboxylic acid.

Molecular Properties

Compound Name2-[4-[2-(2-fluoroanilino)-2-oxoethoxy]-3-methoxyphenyl]quinoline-4-carboxylic acid
PubChem CID164624103
Molecular FormulaC25H19FN2O5
Molecular Weight446.43 g/mol
Exact Mass446.13
IUPAC Name2-[4-[2-(2-fluoroanilino)-2-oxoethoxy]-3-methoxyphenyl]quinoline-4-carboxylic acid
SMILESCOc1cc(-c2cc(C(=O)O)c3ccccc3n2)ccc1OCC(=O)Nc1ccccc1F
InChIInChI=1S/C25H19FN2O5/c1-32-23-12-15(21-13-17(25(30)31)16-6-2-4-8-19(16)27-21)10-11-22(23)33-14-24(29)28-20-9-5-3-7-18(20)26/h2-13H,14H2,1H3,(H,28,29)(H,30,31)
InChIKeyUNKSBROOQJMLQR-UHFFFAOYSA-N
XLogP4.77
TPSA97.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.43
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[4-[2-(2-fluoroanilino)-2-oxoethoxy]-3-methoxyphenyl]quinoline-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(2-fluoroanilino)-2-oxoethoxy]-3-methoxyphenyl]quinoline-4-carboxylic acid?
The IUPAC name of 2-[4-[2-(2-fluoroanilino)-2-oxoethoxy]-3-methoxyphenyl]quinoline-4-carboxylic acid (CID 164624103) is 2-[4-[2-(2-fluoroanilino)-2-oxoethoxy]-3-methoxyphenyl]quinoline-4-carboxylic acid.
What is the SMILES notation for 2-[4-[2-(2-fluoroanilino)-2-oxoethoxy]-3-methoxyphenyl]quinoline-4-carboxylic acid?
The canonical SMILES for 2-[4-[2-(2-fluoroanilino)-2-oxoethoxy]-3-methoxyphenyl]quinoline-4-carboxylic acid is COc1cc(-c2cc(C(=O)O)c3ccccc3n2)ccc1OCC(=O)Nc1ccccc1F.
What is the InChIKey of 2-[4-[2-(2-fluoroanilino)-2-oxoethoxy]-3-methoxyphenyl]quinoline-4-carboxylic acid?
The InChIKey is UNKSBROOQJMLQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19FN2O5/c1-32-23-12-15(21-13-17(25(30)31)16-6-2-4-8-19(16)27-21)10-11-22(23)33-14-24(29)28-20-9-5-3-7-18(20)26/h2-13H,14H2,1H3,(H,28,29)(H,30,31).
What are the key properties of 2-[4-[2-(2-fluoroanilino)-2-oxoethoxy]-3-methoxyphenyl]quinoline-4-carboxylic acid?
2-[4-[2-(2-fluoroanilino)-2-oxoethoxy]-3-methoxyphenyl]quinoline-4-carboxylic acid has a molecular weight of 446.43 g/mol, XLogP of 4.77, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(2-fluoroanilino)-2-oxoethoxy]-3-methoxyphenyl]quinoline-4-carboxylic acid is sourced from PubChem (CID 164624103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).