3-[(2,3-difluorophenyl)methyl-(2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)amino]propanoic acid

C20H18F2N2O4 — CID 119212465

IUPAC3-[(2,3-difluorophenyl)methyl-(2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)amino]propanoic acid
SMILESO=C(O)CCN(Cc1cccc(F)c1F)C(=O)C1CC(=O)Nc2ccccc21
InChIInChI=1S/C20H18F2N2O4/c21-15-6-3-4-12(19(15)22)11-24(9-8-18(26)27)20(28)14-10-17(25)23-16-7-2-1-5-13(14)16/h1-7,14H,8-11H2,(H,23,25)(H,26,27)
InChIKeyJGOUZFDTVSTMBP-UHFFFAOYSA-N
MW388.37 g/mol
LogP2.89
Rot. Bonds6

About 3-[(2,3-difluorophenyl)methyl-(2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)amino]propanoic acid

3-[(2,3-difluorophenyl)methyl-(2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)amino]propanoic acid (PubChem CID 119212465) has the molecular formula C20H18F2N2O4 and a molecular weight of 388.37 g/mol. Its IUPAC name is 3-[(2,3-difluorophenyl)methyl-(2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[(2,3-difluorophenyl)methyl-(2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)amino]propanoic acid
PubChem CID119212465
Molecular FormulaC20H18F2N2O4
Molecular Weight388.37 g/mol
Exact Mass388.12
IUPAC Name3-[(2,3-difluorophenyl)methyl-(2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)amino]propanoic acid
SMILESO=C(O)CCN(Cc1cccc(F)c1F)C(=O)C1CC(=O)Nc2ccccc21
InChIInChI=1S/C20H18F2N2O4/c21-15-6-3-4-12(19(15)22)11-24(9-8-18(26)27)20(28)14-10-17(25)23-16-7-2-1-5-13(14)16/h1-7,14H,8-11H2,(H,23,25)(H,26,27)
InChIKeyJGOUZFDTVSTMBP-UHFFFAOYSA-N
XLogP2.89
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.37
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[(2,3-difluorophenyl)methyl-(2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)amino]propanoic 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 3-[(2,3-difluorophenyl)methyl-(2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)amino]propanoic acid?
The IUPAC name of 3-[(2,3-difluorophenyl)methyl-(2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)amino]propanoic acid (CID 119212465) is 3-[(2,3-difluorophenyl)methyl-(2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)amino]propanoic acid.
What is the SMILES notation for 3-[(2,3-difluorophenyl)methyl-(2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)amino]propanoic acid?
The canonical SMILES for 3-[(2,3-difluorophenyl)methyl-(2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)amino]propanoic acid is O=C(O)CCN(Cc1cccc(F)c1F)C(=O)C1CC(=O)Nc2ccccc21.
What is the InChIKey of 3-[(2,3-difluorophenyl)methyl-(2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)amino]propanoic acid?
The InChIKey is JGOUZFDTVSTMBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F2N2O4/c21-15-6-3-4-12(19(15)22)11-24(9-8-18(26)27)20(28)14-10-17(25)23-16-7-2-1-5-13(14)16/h1-7,14H,8-11H2,(H,23,25)(H,26,27).
What are the key properties of 3-[(2,3-difluorophenyl)methyl-(2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)amino]propanoic acid?
3-[(2,3-difluorophenyl)methyl-(2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)amino]propanoic acid has a molecular weight of 388.37 g/mol, XLogP of 2.89, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,3-difluorophenyl)methyl-(2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)amino]propanoic acid is sourced from PubChem (CID 119212465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).