2-[2-[(5-chloroquinolin-8-yl)amino]-2-oxoethoxy]acetic acid

C13H11ClN2O4 — CID 61328615

IUPAC2-[2-[(5-chloroquinolin-8-yl)amino]-2-oxoethoxy]acetic acid
SMILESO=C(O)COCC(=O)Nc1ccc(Cl)c2cccnc12
InChIInChI=1S/C13H11ClN2O4/c14-9-3-4-10(13-8(9)2-1-5-15-13)16-11(17)6-20-7-12(18)19/h1-5H,6-7H2,(H,16,17)(H,18,19)
InChIKeyLHTRBYKTOCUGRQ-UHFFFAOYSA-N
MW294.69 g/mol
LogP1.93
Rot. Bonds5

About 2-[2-[(5-chloroquinolin-8-yl)amino]-2-oxoethoxy]acetic acid

2-[2-[(5-chloroquinolin-8-yl)amino]-2-oxoethoxy]acetic acid (PubChem CID 61328615) has the molecular formula C13H11ClN2O4 and a molecular weight of 294.69 g/mol. Its IUPAC name is 2-[2-[(5-chloroquinolin-8-yl)amino]-2-oxoethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[(5-chloroquinolin-8-yl)amino]-2-oxoethoxy]acetic acid
PubChem CID61328615
Molecular FormulaC13H11ClN2O4
Molecular Weight294.69 g/mol
Exact Mass294.04
IUPAC Name2-[2-[(5-chloroquinolin-8-yl)amino]-2-oxoethoxy]acetic acid
SMILESO=C(O)COCC(=O)Nc1ccc(Cl)c2cccnc12
InChIInChI=1S/C13H11ClN2O4/c14-9-3-4-10(13-8(9)2-1-5-15-13)16-11(17)6-20-7-12(18)19/h1-5H,6-7H2,(H,16,17)(H,18,19)
InChIKeyLHTRBYKTOCUGRQ-UHFFFAOYSA-N
XLogP1.93
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.69
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[2-[(5-chloroquinolin-8-yl)amino]-2-oxoethoxy]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-[2-[(6-chloro-8-methylquinolin-5-yl)amino]-2-oxoethoxy]acetic acid
CID 61329018
2-[(5-chloroquinolin-8-yl)amino]acetic acid
CID 116783965
2-amino-N-[2-[(5-chloroquinolin-8-yl)amino]-2-oxoethyl]acetamide
CID 60928298
benzyl N-(5-chloroquinolin-8-yl)carbamate
CID 130156860
3-chloro-N-[(5-chloroquinolin-8-yl)carbamoyl]propanamide
CID 116785166
6-[(8-chloroquinolin-5-yl)amino]-6-oxohexanoic acid
CID 60941268
2-(5-chloroquinolin-8-yl)oxy-N-(2,3,4-trifluorophenyl)acetamide
CID 8716409
3-chloro-N-(5-chloroquinolin-8-yl)-2,2-dimethylpropanamide
CID 63680758
N-(5-chloro-2-fluorophenyl)-2-(5-chloroquinolin-8-yl)oxyacetamide
CID 8716254
6-[(5-chloroquinolin-8-yl)amino]hexanoic acid
CID 116784056
2-amino-N-(5-chloroquinolin-8-yl)-3-methylpentanamide
CID 60928670
N-(2-acetylphenyl)-2-(5-chloroquinolin-8-yl)oxyacetamide
CID 8716322

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(5-chloroquinolin-8-yl)amino]-2-oxoethoxy]acetic acid?
The IUPAC name of 2-[2-[(5-chloroquinolin-8-yl)amino]-2-oxoethoxy]acetic acid (CID 61328615) is 2-[2-[(5-chloroquinolin-8-yl)amino]-2-oxoethoxy]acetic acid.
What is the SMILES notation for 2-[2-[(5-chloroquinolin-8-yl)amino]-2-oxoethoxy]acetic acid?
The canonical SMILES for 2-[2-[(5-chloroquinolin-8-yl)amino]-2-oxoethoxy]acetic acid is O=C(O)COCC(=O)Nc1ccc(Cl)c2cccnc12.
What is the InChIKey of 2-[2-[(5-chloroquinolin-8-yl)amino]-2-oxoethoxy]acetic acid?
The InChIKey is LHTRBYKTOCUGRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2O4/c14-9-3-4-10(13-8(9)2-1-5-15-13)16-11(17)6-20-7-12(18)19/h1-5H,6-7H2,(H,16,17)(H,18,19).
What are the key properties of 2-[2-[(5-chloroquinolin-8-yl)amino]-2-oxoethoxy]acetic acid?
2-[2-[(5-chloroquinolin-8-yl)amino]-2-oxoethoxy]acetic acid has a molecular weight of 294.69 g/mol, XLogP of 1.93, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(5-chloroquinolin-8-yl)amino]-2-oxoethoxy]acetic acid is sourced from PubChem (CID 61328615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).