2-[[6-(2-oxoethyl)-4-phenylquinolin-2-yl]amino]acetic acid

C19H16N2O3 — CID 175802341

IUPAC2-[[6-(2-oxoethyl)-4-phenylquinolin-2-yl]amino]acetic acid
SMILESO=CCc1ccc2nc(NCC(=O)O)cc(-c3ccccc3)c2c1
InChIInChI=1S/C19H16N2O3/c22-9-8-13-6-7-17-16(10-13)15(14-4-2-1-3-5-14)11-18(21-17)20-12-19(23)24/h1-7,9-11H,8,12H2,(H,20,21)(H,23,24)
InChIKeyRVAZIMYWVWLWAZ-UHFFFAOYSA-N
MW320.35 g/mol
LogP3.14
Rot. Bonds6

About 2-[[6-(2-oxoethyl)-4-phenylquinolin-2-yl]amino]acetic acid

2-[[6-(2-oxoethyl)-4-phenylquinolin-2-yl]amino]acetic acid (PubChem CID 175802341) has the molecular formula C19H16N2O3 and a molecular weight of 320.35 g/mol. Its IUPAC name is 2-[[6-(2-oxoethyl)-4-phenylquinolin-2-yl]amino]acetic acid.

Molecular Properties

Compound Name2-[[6-(2-oxoethyl)-4-phenylquinolin-2-yl]amino]acetic acid
PubChem CID175802341
Molecular FormulaC19H16N2O3
Molecular Weight320.35 g/mol
Exact Mass320.12
IUPAC Name2-[[6-(2-oxoethyl)-4-phenylquinolin-2-yl]amino]acetic acid
SMILESO=CCc1ccc2nc(NCC(=O)O)cc(-c3ccccc3)c2c1
InChIInChI=1S/C19H16N2O3/c22-9-8-13-6-7-17-16(10-13)15(14-4-2-1-3-5-14)11-18(21-17)20-12-19(23)24/h1-7,9-11H,8,12H2,(H,20,21)(H,23,24)
InChIKeyRVAZIMYWVWLWAZ-UHFFFAOYSA-N
XLogP3.14
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 2-[[6-(2-oxoethyl)-4-phenylquinolin-2-yl]amino]acetic 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

2-[7-[[3-Methyl-2-(4-methylpiperazin-1-yl)quinoline-4-carbonyl]amino]heptylcarbamoylamino]acetic acid
CID 44623400
2,2'-({3-[(6-Ethyl-4-methylquinolin-2-yl)amino]propyl}imino)diethanol
CID 46988044
2-[(6-Methyl-4-phenylquinazolin-2-yl)amino]acetic acid
CID 800517
2,2-Dimethyl-6-[(4-phenylquinolin-2-yl)amino]hexanoic acid
CID 10428748
2-[(2-Phenylquinazolin-4-yl)amino]butanoic acid
CID 2789490
2-[4-(Quinolin-2-ylamino)phenyl]acetic acid
CID 13054260
2-[4-(Quinolin-2-ylamino)phenyl]propanoic acid
CID 13054261
2-[(2,4-dimethylphenyl)amino]-N-(2-phenylethyl)quinoline-4-carboxamide
CID 15990880
(2S)-3-phenyl-2-[(2-phenylquinazolin-4-yl)amino]propanoic acid
CID 24874371
2-{2-[(6-Ethyl-4-methylquinolin-2-yl)amino]ethoxy}ethanol
CID 46995832
2-(4-Fluorophenyl)-2-[[2-(1-piperidyl)-4-quinolyl]amino]acetic acid
CID 118722388
2-(Phenanthridin-6-ylamino)ethanol
CID 282636

Frequently Asked Questions

What is the IUPAC name of 2-[[6-(2-oxoethyl)-4-phenylquinolin-2-yl]amino]acetic acid?
The IUPAC name of 2-[[6-(2-oxoethyl)-4-phenylquinolin-2-yl]amino]acetic acid (CID 175802341) is 2-[[6-(2-oxoethyl)-4-phenylquinolin-2-yl]amino]acetic acid.
What is the SMILES notation for 2-[[6-(2-oxoethyl)-4-phenylquinolin-2-yl]amino]acetic acid?
The canonical SMILES for 2-[[6-(2-oxoethyl)-4-phenylquinolin-2-yl]amino]acetic acid is O=CCc1ccc2nc(NCC(=O)O)cc(-c3ccccc3)c2c1.
What is the InChIKey of 2-[[6-(2-oxoethyl)-4-phenylquinolin-2-yl]amino]acetic acid?
The InChIKey is RVAZIMYWVWLWAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O3/c22-9-8-13-6-7-17-16(10-13)15(14-4-2-1-3-5-14)11-18(21-17)20-12-19(23)24/h1-7,9-11H,8,12H2,(H,20,21)(H,23,24).
What are the key properties of 2-[[6-(2-oxoethyl)-4-phenylquinolin-2-yl]amino]acetic acid?
2-[[6-(2-oxoethyl)-4-phenylquinolin-2-yl]amino]acetic acid has a molecular weight of 320.35 g/mol, XLogP of 3.14, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(2-oxoethyl)-4-phenylquinolin-2-yl]amino]acetic acid is sourced from PubChem (CID 175802341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).