methyl 2-[2-(4-chlorophenyl)-6-[(2-methoxyacetyl)amino]quinolin-4-yl]oxyacetate

C21H19ClN2O5 — CID 53113644

IUPACmethyl 2-[2-(4-chlorophenyl)-6-[(2-methoxyacetyl)amino]quinolin-4-yl]oxyacetate
SMILESCOCC(=O)Nc1ccc2nc(-c3ccc(Cl)cc3)cc(OCC(=O)OC)c2c1
InChIInChI=1S/C21H19ClN2O5/c1-27-11-20(25)23-15-7-8-17-16(9-15)19(29-12-21(26)28-2)10-18(24-17)13-3-5-14(22)6-4-13/h3-10H,11-12H2,1-2H3,(H,23,25)
InChIKeyLJIYDOKVFFEFKG-UHFFFAOYSA-N
MW414.85 g/mol
LogP3.69
Rot. Bonds7

About methyl 2-[2-(4-chlorophenyl)-6-[(2-methoxyacetyl)amino]quinolin-4-yl]oxyacetate

methyl 2-[2-(4-chlorophenyl)-6-[(2-methoxyacetyl)amino]quinolin-4-yl]oxyacetate (PubChem CID 53113644) has the molecular formula C21H19ClN2O5 and a molecular weight of 414.85 g/mol. Its IUPAC name is methyl 2-[2-(4-chlorophenyl)-6-[(2-methoxyacetyl)amino]quinolin-4-yl]oxyacetate.

Molecular Properties

Compound Namemethyl 2-[2-(4-chlorophenyl)-6-[(2-methoxyacetyl)amino]quinolin-4-yl]oxyacetate
PubChem CID53113644
Molecular FormulaC21H19ClN2O5
Molecular Weight414.85 g/mol
Exact Mass414.10
IUPAC Namemethyl 2-[2-(4-chlorophenyl)-6-[(2-methoxyacetyl)amino]quinolin-4-yl]oxyacetate
SMILESCOCC(=O)Nc1ccc2nc(-c3ccc(Cl)cc3)cc(OCC(=O)OC)c2c1
InChIInChI=1S/C21H19ClN2O5/c1-27-11-20(25)23-15-7-8-17-16(9-15)19(29-12-21(26)28-2)10-18(24-17)13-3-5-14(22)6-4-13/h3-10H,11-12H2,1-2H3,(H,23,25)
InChIKeyLJIYDOKVFFEFKG-UHFFFAOYSA-N
XLogP3.69
TPSA86.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.85
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(4-chlorophenyl)-4-methoxyquinolin-6-yl]-2-methoxyacetamide
CID 53001321
methyl 2-[6-[(4-chlorophenyl)carbamoylamino]-2-phenylquinolin-4-yl]oxyacetate
CID 46385061
methyl 2-[6-[(4-chlorobenzoyl)amino]-2-(4-methylphenyl)quinolin-4-yl]oxyacetate
CID 53113515
methyl 2-[2-(4-chlorophenyl)-6-(cyclobutanecarbonylamino)quinolin-4-yl]oxyacetate
CID 53113645
methyl 2-[6-[(3-chlorobenzoyl)amino]-2-(4-methoxyphenyl)quinolin-4-yl]oxyacetate
CID 53113571
methyl 2-[6-[(2-chlorobenzoyl)amino]-2-phenylquinolin-4-yl]oxyacetate
CID 53113511
methyl 2-[6-[(2-chlorobenzoyl)amino]-2-(4-methoxyphenyl)quinolin-4-yl]oxyacetate
CID 53113575
methyl 2-[2-(3-chlorophenyl)-6-(phenylcarbamoylamino)quinolin-4-yl]oxyacetate
CID 50827614
methyl 2-[6-[(3,4-dimethylphenyl)carbamoylamino]-2-(4-fluorophenyl)quinolin-4-yl]oxyacetate
CID 50827642
N-[4-(2-amino-2-oxoethoxy)-2-(4-chlorophenyl)quinolin-6-yl]-4-methylbenzamide
CID 53113532
ethyl 2-[2-(4-fluorophenyl)-6-(propanoylamino)quinolin-4-yl]oxyacetate
CID 53113659
2-methoxy-N-[4-(2-methoxyethoxy)-2-(1,3-thiazol-5-yl)quinolin-6-yl]acetamide
CID 171536300

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(4-chlorophenyl)-6-[(2-methoxyacetyl)amino]quinolin-4-yl]oxyacetate?
The IUPAC name of methyl 2-[2-(4-chlorophenyl)-6-[(2-methoxyacetyl)amino]quinolin-4-yl]oxyacetate (CID 53113644) is methyl 2-[2-(4-chlorophenyl)-6-[(2-methoxyacetyl)amino]quinolin-4-yl]oxyacetate.
What is the SMILES notation for methyl 2-[2-(4-chlorophenyl)-6-[(2-methoxyacetyl)amino]quinolin-4-yl]oxyacetate?
The canonical SMILES for methyl 2-[2-(4-chlorophenyl)-6-[(2-methoxyacetyl)amino]quinolin-4-yl]oxyacetate is COCC(=O)Nc1ccc2nc(-c3ccc(Cl)cc3)cc(OCC(=O)OC)c2c1.
What is the InChIKey of methyl 2-[2-(4-chlorophenyl)-6-[(2-methoxyacetyl)amino]quinolin-4-yl]oxyacetate?
The InChIKey is LJIYDOKVFFEFKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN2O5/c1-27-11-20(25)23-15-7-8-17-16(9-15)19(29-12-21(26)28-2)10-18(24-17)13-3-5-14(22)6-4-13/h3-10H,11-12H2,1-2H3,(H,23,25).
What are the key properties of methyl 2-[2-(4-chlorophenyl)-6-[(2-methoxyacetyl)amino]quinolin-4-yl]oxyacetate?
methyl 2-[2-(4-chlorophenyl)-6-[(2-methoxyacetyl)amino]quinolin-4-yl]oxyacetate has a molecular weight of 414.85 g/mol, XLogP of 3.69, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(4-chlorophenyl)-6-[(2-methoxyacetyl)amino]quinolin-4-yl]oxyacetate is sourced from PubChem (CID 53113644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).