3-[3-[ethyl(quinoxalin-2-yl)amino]phenyl]propanoic acid

C19H19N3O2 — CID 141434982

IUPAC3-[3-[ethyl(quinoxalin-2-yl)amino]phenyl]propanoic acid
SMILESCCN(c1cccc(CCC(=O)O)c1)c1cnc2ccccc2n1
InChIInChI=1S/C19H19N3O2/c1-2-22(15-7-5-6-14(12-15)10-11-19(23)24)18-13-20-16-8-3-4-9-17(16)21-18/h3-9,12-13H,2,10-11H2,1H3,(H,23,24)
InChIKeyJJTIGKGVMGGAOE-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.81
Rot. Bonds6

About 3-[3-[ethyl(quinoxalin-2-yl)amino]phenyl]propanoic acid

3-[3-[ethyl(quinoxalin-2-yl)amino]phenyl]propanoic acid (PubChem CID 141434982) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is 3-[3-[ethyl(quinoxalin-2-yl)amino]phenyl]propanoic acid.

Molecular Properties

Compound Name3-[3-[ethyl(quinoxalin-2-yl)amino]phenyl]propanoic acid
PubChem CID141434982
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Name3-[3-[ethyl(quinoxalin-2-yl)amino]phenyl]propanoic acid
SMILESCCN(c1cccc(CCC(=O)O)c1)c1cnc2ccccc2n1
InChIInChI=1S/C19H19N3O2/c1-2-22(15-7-5-6-14(12-15)10-11-19(23)24)18-13-20-16-8-3-4-9-17(16)21-18/h3-9,12-13H,2,10-11H2,1H3,(H,23,24)
InChIKeyJJTIGKGVMGGAOE-UHFFFAOYSA-N
XLogP3.81
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[3-[ethyl(quinoxalin-2-yl)amino]phenyl]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

Related Compounds

3-[3-[ethyl(quinolin-2-yl)amino]phenyl]propanoic acid
CID 126842976
2-[ethyl(quinoxalin-2-yl)amino]acetic acid
CID 55064040
(E)-3-[3-[carboxymethyl(quinoxalin-2-yl)amino]phenyl]prop-2-enoic acid
CID 141434986
4-[methyl(quinoxalin-2-yl)amino]butanoic acid
CID 62361159
3-[3-[acetyl(methyl)amino]phenyl]propanoic acid
CID 28760016
lanthanum;3-phenylpropanoic acid
CID 174887955
5-(N-ethyl-3-methylanilino)-N-(2-phenylethyl)pyrazine-2-carboxamide
CID 109283898
2-[propan-2-yl(quinoxalin-2-yl)amino]acetic acid
CID 55064039
3-[ethyl(quinoxaline-2-carbonyl)amino]propanoic acid
CID 61007107
3-[3-(benzimidazol-1-yl)phenyl]propanoic acid
CID 82514384
3-(3-methylquinolin-6-yl)propanoic acid
CID 83886586
3-(3-methylphenyl)-1-quinolin-3-ylpropan-1-one
CID 105081061

Frequently Asked Questions

What is the IUPAC name of 3-[3-[ethyl(quinoxalin-2-yl)amino]phenyl]propanoic acid?
The IUPAC name of 3-[3-[ethyl(quinoxalin-2-yl)amino]phenyl]propanoic acid (CID 141434982) is 3-[3-[ethyl(quinoxalin-2-yl)amino]phenyl]propanoic acid.
What is the SMILES notation for 3-[3-[ethyl(quinoxalin-2-yl)amino]phenyl]propanoic acid?
The canonical SMILES for 3-[3-[ethyl(quinoxalin-2-yl)amino]phenyl]propanoic acid is CCN(c1cccc(CCC(=O)O)c1)c1cnc2ccccc2n1.
What is the InChIKey of 3-[3-[ethyl(quinoxalin-2-yl)amino]phenyl]propanoic acid?
The InChIKey is JJTIGKGVMGGAOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-2-22(15-7-5-6-14(12-15)10-11-19(23)24)18-13-20-16-8-3-4-9-17(16)21-18/h3-9,12-13H,2,10-11H2,1H3,(H,23,24).
What are the key properties of 3-[3-[ethyl(quinoxalin-2-yl)amino]phenyl]propanoic acid?
3-[3-[ethyl(quinoxalin-2-yl)amino]phenyl]propanoic acid has a molecular weight of 321.38 g/mol, XLogP of 3.81, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[ethyl(quinoxalin-2-yl)amino]phenyl]propanoic acid is sourced from PubChem (CID 141434982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).