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

C26H21ClN2O4 — CID 53113515

IUPACmethyl 2-[6-[(4-chlorobenzoyl)amino]-2-(4-methylphenyl)quinolin-4-yl]oxyacetate
SMILESCOC(=O)COc1cc(-c2ccc(C)cc2)nc2ccc(NC(=O)c3ccc(Cl)cc3)cc12
InChIInChI=1S/C26H21ClN2O4/c1-16-3-5-17(6-4-16)23-14-24(33-15-25(30)32-2)21-13-20(11-12-22(21)29-23)28-26(31)18-7-9-19(27)10-8-18/h3-14H,15H2,1-2H3,(H,28,31)
InChIKeyPZLKYDVZDZZWDQ-UHFFFAOYSA-N
MW460.92 g/mol
LogP5.67
Rot. Bonds6

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

methyl 2-[6-[(4-chlorobenzoyl)amino]-2-(4-methylphenyl)quinolin-4-yl]oxyacetate (PubChem CID 53113515) has the molecular formula C26H21ClN2O4 and a molecular weight of 460.92 g/mol. Its IUPAC name is methyl 2-[6-[(4-chlorobenzoyl)amino]-2-(4-methylphenyl)quinolin-4-yl]oxyacetate.

Molecular Properties

Compound Namemethyl 2-[6-[(4-chlorobenzoyl)amino]-2-(4-methylphenyl)quinolin-4-yl]oxyacetate
PubChem CID53113515
Molecular FormulaC26H21ClN2O4
Molecular Weight460.92 g/mol
Exact Mass460.12
IUPAC Namemethyl 2-[6-[(4-chlorobenzoyl)amino]-2-(4-methylphenyl)quinolin-4-yl]oxyacetate
SMILESCOC(=O)COc1cc(-c2ccc(C)cc2)nc2ccc(NC(=O)c3ccc(Cl)cc3)cc12
InChIInChI=1S/C26H21ClN2O4/c1-16-3-5-17(6-4-16)23-14-24(33-15-25(30)32-2)21-13-20(11-12-22(21)29-23)28-26(31)18-7-9-19(27)10-8-18/h3-14H,15H2,1-2H3,(H,28,31)
InChIKeyPZLKYDVZDZZWDQ-UHFFFAOYSA-N
XLogP5.67
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.92
LogP ≤ 55.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(2-amino-2-oxoethoxy)-2-(4-chlorophenyl)quinolin-6-yl]-4-methylbenzamide
CID 53113532
methyl 2-[2-(4-chlorophenyl)-6-[(2-methoxyacetyl)amino]quinolin-4-yl]oxyacetate
CID 53113644
methyl 2-[6-[(3-chlorobenzoyl)amino]-2-(4-methoxyphenyl)quinolin-4-yl]oxyacetate
CID 53113571
methyl 2-[6-[(4-chlorophenyl)carbamoylamino]-2-phenylquinolin-4-yl]oxyacetate
CID 46385061
methyl 2-[2-(4-chlorophenyl)-6-(cyclobutanecarbonylamino)quinolin-4-yl]oxyacetate
CID 53113645
methyl 2-[6-[(2-chlorobenzoyl)amino]-2-phenylquinolin-4-yl]oxyacetate
CID 53113511
N-[4-methoxy-2-(4-methylphenyl)quinolin-6-yl]benzamide
CID 53001311
methyl 2-[6-[(2-chlorobenzoyl)amino]-2-(4-methoxyphenyl)quinolin-4-yl]oxyacetate
CID 53113575
methyl 2-[2-(4-fluorophenyl)-6-[(2-methoxybenzoyl)amino]quinolin-4-yl]oxyacetate
CID 53113586
4-ethoxy-N-(4-methylphenyl)-2-phenylquinoline-6-carboxamide
CID 46318814
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

Frequently Asked Questions

What is the IUPAC name of methyl 2-[6-[(4-chlorobenzoyl)amino]-2-(4-methylphenyl)quinolin-4-yl]oxyacetate?
The IUPAC name of methyl 2-[6-[(4-chlorobenzoyl)amino]-2-(4-methylphenyl)quinolin-4-yl]oxyacetate (CID 53113515) is methyl 2-[6-[(4-chlorobenzoyl)amino]-2-(4-methylphenyl)quinolin-4-yl]oxyacetate.
What is the SMILES notation for methyl 2-[6-[(4-chlorobenzoyl)amino]-2-(4-methylphenyl)quinolin-4-yl]oxyacetate?
The canonical SMILES for methyl 2-[6-[(4-chlorobenzoyl)amino]-2-(4-methylphenyl)quinolin-4-yl]oxyacetate is COC(=O)COc1cc(-c2ccc(C)cc2)nc2ccc(NC(=O)c3ccc(Cl)cc3)cc12.
What is the InChIKey of methyl 2-[6-[(4-chlorobenzoyl)amino]-2-(4-methylphenyl)quinolin-4-yl]oxyacetate?
The InChIKey is PZLKYDVZDZZWDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21ClN2O4/c1-16-3-5-17(6-4-16)23-14-24(33-15-25(30)32-2)21-13-20(11-12-22(21)29-23)28-26(31)18-7-9-19(27)10-8-18/h3-14H,15H2,1-2H3,(H,28,31).
What are the key properties of methyl 2-[6-[(4-chlorobenzoyl)amino]-2-(4-methylphenyl)quinolin-4-yl]oxyacetate?
methyl 2-[6-[(4-chlorobenzoyl)amino]-2-(4-methylphenyl)quinolin-4-yl]oxyacetate has a molecular weight of 460.92 g/mol, XLogP of 5.67, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[6-[(4-chlorobenzoyl)amino]-2-(4-methylphenyl)quinolin-4-yl]oxyacetate is sourced from PubChem (CID 53113515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).