methyl 2-[6-[(3-chlorobenzoyl)amino]-2-(4-methoxyphenyl)quinolin-4-yl]oxyacetate

C26H21ClN2O5 — CID 53113571

IUPACmethyl 2-[6-[(3-chlorobenzoyl)amino]-2-(4-methoxyphenyl)quinolin-4-yl]oxyacetate
SMILESCOC(=O)COc1cc(-c2ccc(OC)cc2)nc2ccc(NC(=O)c3cccc(Cl)c3)cc12
InChIInChI=1S/C26H21ClN2O5/c1-32-20-9-6-16(7-10-20)23-14-24(34-15-25(30)33-2)21-13-19(8-11-22(21)29-23)28-26(31)17-4-3-5-18(27)12-17/h3-14H,15H2,1-2H3,(H,28,31)
InChIKeyXTIHFGSIIWVYDK-UHFFFAOYSA-N
MW476.92 g/mol
LogP5.37
Rot. Bonds7

About methyl 2-[6-[(3-chlorobenzoyl)amino]-2-(4-methoxyphenyl)quinolin-4-yl]oxyacetate

methyl 2-[6-[(3-chlorobenzoyl)amino]-2-(4-methoxyphenyl)quinolin-4-yl]oxyacetate (PubChem CID 53113571) has the molecular formula C26H21ClN2O5 and a molecular weight of 476.92 g/mol. Its IUPAC name is methyl 2-[6-[(3-chlorobenzoyl)amino]-2-(4-methoxyphenyl)quinolin-4-yl]oxyacetate.

Molecular Properties

Compound Namemethyl 2-[6-[(3-chlorobenzoyl)amino]-2-(4-methoxyphenyl)quinolin-4-yl]oxyacetate
PubChem CID53113571
Molecular FormulaC26H21ClN2O5
Molecular Weight476.92 g/mol
Exact Mass476.11
IUPAC Namemethyl 2-[6-[(3-chlorobenzoyl)amino]-2-(4-methoxyphenyl)quinolin-4-yl]oxyacetate
SMILESCOC(=O)COc1cc(-c2ccc(OC)cc2)nc2ccc(NC(=O)c3cccc(Cl)c3)cc12
InChIInChI=1S/C26H21ClN2O5/c1-32-20-9-6-16(7-10-20)23-14-24(34-15-25(30)33-2)21-13-19(8-11-22(21)29-23)28-26(31)17-4-3-5-18(27)12-17/h3-14H,15H2,1-2H3,(H,28,31)
InChIKeyXTIHFGSIIWVYDK-UHFFFAOYSA-N
XLogP5.37
TPSA86.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.92
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-[6-[(2-chlorobenzoyl)amino]-2-(4-methoxyphenyl)quinolin-4-yl]oxyacetate
CID 53113575
methyl 2-[6-[(4-chlorobenzoyl)amino]-2-(4-methylphenyl)quinolin-4-yl]oxyacetate
CID 53113515
methyl 2-[2-(3-chlorophenyl)-6-(phenylcarbamoylamino)quinolin-4-yl]oxyacetate
CID 50827614
N-[4-methoxy-2-(4-methoxyphenyl)quinolin-6-yl]benzamide
CID 53113445
methyl 2-[6-[(2-chlorobenzoyl)amino]-2-phenylquinolin-4-yl]oxyacetate
CID 53113511
methyl 2-[6-[(4-chlorophenyl)carbamoylamino]-2-phenylquinolin-4-yl]oxyacetate
CID 46385061
methyl 2-[2-(4-chlorophenyl)-6-[(2-methoxyacetyl)amino]quinolin-4-yl]oxyacetate
CID 53113644
methyl 2-[2-(4-fluorophenyl)-6-[(2-methoxybenzoyl)amino]quinolin-4-yl]oxyacetate
CID 53113586
methyl 2-[2-(4-chlorophenyl)-6-(cyclobutanecarbonylamino)quinolin-4-yl]oxyacetate
CID 53113645
N-[4-(2-amino-2-oxoethoxy)-2-(4-chlorophenyl)quinolin-6-yl]-4-methylbenzamide
CID 53113532
N-[4,6-bis(4-methoxyphenyl)pyrimidin-2-yl]-3-chlorobenzamide
CID 20896247
N-[4-methoxy-2-(4-methylphenyl)quinolin-6-yl]benzamide
CID 53001311

Frequently Asked Questions

What is the IUPAC name of methyl 2-[6-[(3-chlorobenzoyl)amino]-2-(4-methoxyphenyl)quinolin-4-yl]oxyacetate?
The IUPAC name of methyl 2-[6-[(3-chlorobenzoyl)amino]-2-(4-methoxyphenyl)quinolin-4-yl]oxyacetate (CID 53113571) is methyl 2-[6-[(3-chlorobenzoyl)amino]-2-(4-methoxyphenyl)quinolin-4-yl]oxyacetate.
What is the SMILES notation for methyl 2-[6-[(3-chlorobenzoyl)amino]-2-(4-methoxyphenyl)quinolin-4-yl]oxyacetate?
The canonical SMILES for methyl 2-[6-[(3-chlorobenzoyl)amino]-2-(4-methoxyphenyl)quinolin-4-yl]oxyacetate is COC(=O)COc1cc(-c2ccc(OC)cc2)nc2ccc(NC(=O)c3cccc(Cl)c3)cc12.
What is the InChIKey of methyl 2-[6-[(3-chlorobenzoyl)amino]-2-(4-methoxyphenyl)quinolin-4-yl]oxyacetate?
The InChIKey is XTIHFGSIIWVYDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21ClN2O5/c1-32-20-9-6-16(7-10-20)23-14-24(34-15-25(30)33-2)21-13-19(8-11-22(21)29-23)28-26(31)17-4-3-5-18(27)12-17/h3-14H,15H2,1-2H3,(H,28,31).
What are the key properties of methyl 2-[6-[(3-chlorobenzoyl)amino]-2-(4-methoxyphenyl)quinolin-4-yl]oxyacetate?
methyl 2-[6-[(3-chlorobenzoyl)amino]-2-(4-methoxyphenyl)quinolin-4-yl]oxyacetate has a molecular weight of 476.92 g/mol, XLogP of 5.37, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[6-[(3-chlorobenzoyl)amino]-2-(4-methoxyphenyl)quinolin-4-yl]oxyacetate is sourced from PubChem (CID 53113571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).