methyl 2-[5-chloro-2-[(4-chlorophenyl)methyl]quinolin-8-yl]oxyacetate

C19H15Cl2NO3 — CID 68863621

IUPACmethyl 2-[5-chloro-2-[(4-chlorophenyl)methyl]quinolin-8-yl]oxyacetate
SMILESCOC(=O)COc1ccc(Cl)c2ccc(Cc3ccc(Cl)cc3)nc12
InChIInChI=1S/C19H15Cl2NO3/c1-24-18(23)11-25-17-9-8-16(21)15-7-6-14(22-19(15)17)10-12-2-4-13(20)5-3-12/h2-9H,10-11H2,1H3
InChIKeyACIXAHOAFJFDGP-UHFFFAOYSA-N
MW376.24 g/mol
LogP4.68
Rot. Bonds5

About methyl 2-[5-chloro-2-[(4-chlorophenyl)methyl]quinolin-8-yl]oxyacetate

methyl 2-[5-chloro-2-[(4-chlorophenyl)methyl]quinolin-8-yl]oxyacetate (PubChem CID 68863621) has the molecular formula C19H15Cl2NO3 and a molecular weight of 376.24 g/mol. Its IUPAC name is methyl 2-[5-chloro-2-[(4-chlorophenyl)methyl]quinolin-8-yl]oxyacetate.

Molecular Properties

Compound Namemethyl 2-[5-chloro-2-[(4-chlorophenyl)methyl]quinolin-8-yl]oxyacetate
PubChem CID68863621
Molecular FormulaC19H15Cl2NO3
Molecular Weight376.24 g/mol
Exact Mass375.04
IUPAC Namemethyl 2-[5-chloro-2-[(4-chlorophenyl)methyl]quinolin-8-yl]oxyacetate
SMILESCOC(=O)COc1ccc(Cl)c2ccc(Cc3ccc(Cl)cc3)nc12
InChIInChI=1S/C19H15Cl2NO3/c1-24-18(23)11-25-17-9-8-16(21)15-7-6-14(22-19(15)17)10-12-2-4-13(20)5-3-12/h2-9H,10-11H2,1H3
InChIKeyACIXAHOAFJFDGP-UHFFFAOYSA-N
XLogP4.68
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.24
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 2-[5-chloro-2-[(4-chlorophenyl)methyl]quinolin-8-yl]oxyacetate 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

methyl 2-(5-chloroquinolin-8-yl)oxyacetate
CID 15257198
2-[2-[(4-chlorophenyl)methyl]-5-fluoroquinazolin-8-yl]oxyacetic acid
CID 42606692
methyl 2-(5-chloro-8-hydroxyquinolin-2-yl)acetate
CID 171776280
N-[(4-chlorophenyl)methyl]-2-(5-chloroquinolin-8-yl)oxy-N-methylacetamide
CID 8716397
5-chloro-2-[(4-chlorophenyl)methyl]-8-methoxyquinolin-3-ol
CID 68867026
propan-2-yl 2-(5-chloroquinolin-8-yl)oxyacetate
CID 19390515
N-[(1S)-1-(4-chlorophenyl)ethyl]-2-(5-chloroquinolin-8-yl)oxyacetamide
CID 8716466
methyl 2-[4-chloro-3-(2-methoxy-2-oxoethoxy)phenoxy]acetate
CID 5312098
methyl 2-[2-fluoro-4-(methylaminomethyl)phenoxy]acetate
CID 107686567
methyl 2-[3-[(4-chlorophenyl)methyl]-8-fluoro-1,4-dimethyl-2-oxoquinolin-5-yl]oxyacetate
CID 68605752
methyl 3-(5,8-dimethoxyquinolin-2-yl)propanoate
CID 82248195
methyl 2-(4-chloro-2-sulfamoylphenoxy)acetate
CID 70527537

Frequently Asked Questions

What is the IUPAC name of methyl 2-[5-chloro-2-[(4-chlorophenyl)methyl]quinolin-8-yl]oxyacetate?
The IUPAC name of methyl 2-[5-chloro-2-[(4-chlorophenyl)methyl]quinolin-8-yl]oxyacetate (CID 68863621) is methyl 2-[5-chloro-2-[(4-chlorophenyl)methyl]quinolin-8-yl]oxyacetate.
What is the SMILES notation for methyl 2-[5-chloro-2-[(4-chlorophenyl)methyl]quinolin-8-yl]oxyacetate?
The canonical SMILES for methyl 2-[5-chloro-2-[(4-chlorophenyl)methyl]quinolin-8-yl]oxyacetate is COC(=O)COc1ccc(Cl)c2ccc(Cc3ccc(Cl)cc3)nc12.
What is the InChIKey of methyl 2-[5-chloro-2-[(4-chlorophenyl)methyl]quinolin-8-yl]oxyacetate?
The InChIKey is ACIXAHOAFJFDGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15Cl2NO3/c1-24-18(23)11-25-17-9-8-16(21)15-7-6-14(22-19(15)17)10-12-2-4-13(20)5-3-12/h2-9H,10-11H2,1H3.
What are the key properties of methyl 2-[5-chloro-2-[(4-chlorophenyl)methyl]quinolin-8-yl]oxyacetate?
methyl 2-[5-chloro-2-[(4-chlorophenyl)methyl]quinolin-8-yl]oxyacetate has a molecular weight of 376.24 g/mol, XLogP of 4.68, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[5-chloro-2-[(4-chlorophenyl)methyl]quinolin-8-yl]oxyacetate is sourced from PubChem (CID 68863621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).