methyl 2-[6-[(4-chlorophenyl)carbamoylamino]-2-phenylquinolin-4-yl]oxyacetate

C25H20ClN3O4 — CID 46385061

IUPACmethyl 2-[6-[(4-chlorophenyl)carbamoylamino]-2-phenylquinolin-4-yl]oxyacetate
SMILESCOC(=O)COc1cc(-c2ccccc2)nc2ccc(NC(=O)Nc3ccc(Cl)cc3)cc12
InChIInChI=1S/C25H20ClN3O4/c1-32-24(30)15-33-23-14-22(16-5-3-2-4-6-16)29-21-12-11-19(13-20(21)23)28-25(31)27-18-9-7-17(26)8-10-18/h2-14H,15H2,1H3,(H2,27,28,31)
InChIKeyNMOUTSQINGCWAE-UHFFFAOYSA-N
MW461.91 g/mol
LogP5.75
Rot. Bonds6

About methyl 2-[6-[(4-chlorophenyl)carbamoylamino]-2-phenylquinolin-4-yl]oxyacetate

methyl 2-[6-[(4-chlorophenyl)carbamoylamino]-2-phenylquinolin-4-yl]oxyacetate (PubChem CID 46385061) has the molecular formula C25H20ClN3O4 and a molecular weight of 461.91 g/mol. Its IUPAC name is methyl 2-[6-[(4-chlorophenyl)carbamoylamino]-2-phenylquinolin-4-yl]oxyacetate.

Molecular Properties

Compound Namemethyl 2-[6-[(4-chlorophenyl)carbamoylamino]-2-phenylquinolin-4-yl]oxyacetate
PubChem CID46385061
Molecular FormulaC25H20ClN3O4
Molecular Weight461.91 g/mol
Exact Mass461.11
IUPAC Namemethyl 2-[6-[(4-chlorophenyl)carbamoylamino]-2-phenylquinolin-4-yl]oxyacetate
SMILESCOC(=O)COc1cc(-c2ccccc2)nc2ccc(NC(=O)Nc3ccc(Cl)cc3)cc12
InChIInChI=1S/C25H20ClN3O4/c1-32-24(30)15-33-23-14-22(16-5-3-2-4-6-16)29-21-12-11-19(13-20(21)23)28-25(31)27-18-9-7-17(26)8-10-18/h2-14H,15H2,1H3,(H2,27,28,31)
InChIKeyNMOUTSQINGCWAE-UHFFFAOYSA-N
XLogP5.75
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.91
LogP ≤ 55.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 2-[6-[(4-chlorophenyl)carbamoylamino]-2-phenylquinolin-4-yl]oxyacetate with MolForge

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Related Compounds

methyl 2-[2-(3-chlorophenyl)-6-(phenylcarbamoylamino)quinolin-4-yl]oxyacetate
CID 50827614
methyl 2-[2-(4-chlorophenyl)-6-[(2-methoxyacetyl)amino]quinolin-4-yl]oxyacetate
CID 53113644
methyl 2-[6-[(2-chlorobenzoyl)amino]-2-phenylquinolin-4-yl]oxyacetate
CID 53113511
methyl 2-[6-[(2-ethoxyphenyl)carbamoylamino]-2-phenylquinolin-4-yl]oxyacetate
CID 46385068
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-[(2-chlorobenzoyl)amino]-2-(4-methoxyphenyl)quinolin-4-yl]oxyacetate
CID 53113575
methyl 2-[6-[(3-fluorophenyl)methylcarbamoylamino]-2-phenylquinolin-4-yl]oxyacetate
CID 46385080
methyl 2-[6-[(3,4-dimethylphenyl)carbamoylamino]-2-(4-fluorophenyl)quinolin-4-yl]oxyacetate
CID 50827642
methyl 2-[6-[(3-chlorobenzoyl)amino]-2-(4-methoxyphenyl)quinolin-4-yl]oxyacetate
CID 53113571
methyl 2-[6-(benzylcarbamoylamino)-2-(4-fluorophenyl)quinolin-4-yl]oxyacetate
CID 50827652
ethyl 2-[6-[(2,5-difluorophenyl)carbamoylamino]-2-phenylquinolin-4-yl]oxyacetate
CID 46385093

Frequently Asked Questions

What is the IUPAC name of methyl 2-[6-[(4-chlorophenyl)carbamoylamino]-2-phenylquinolin-4-yl]oxyacetate?
The IUPAC name of methyl 2-[6-[(4-chlorophenyl)carbamoylamino]-2-phenylquinolin-4-yl]oxyacetate (CID 46385061) is methyl 2-[6-[(4-chlorophenyl)carbamoylamino]-2-phenylquinolin-4-yl]oxyacetate.
What is the SMILES notation for methyl 2-[6-[(4-chlorophenyl)carbamoylamino]-2-phenylquinolin-4-yl]oxyacetate?
The canonical SMILES for methyl 2-[6-[(4-chlorophenyl)carbamoylamino]-2-phenylquinolin-4-yl]oxyacetate is COC(=O)COc1cc(-c2ccccc2)nc2ccc(NC(=O)Nc3ccc(Cl)cc3)cc12.
What is the InChIKey of methyl 2-[6-[(4-chlorophenyl)carbamoylamino]-2-phenylquinolin-4-yl]oxyacetate?
The InChIKey is NMOUTSQINGCWAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20ClN3O4/c1-32-24(30)15-33-23-14-22(16-5-3-2-4-6-16)29-21-12-11-19(13-20(21)23)28-25(31)27-18-9-7-17(26)8-10-18/h2-14H,15H2,1H3,(H2,27,28,31).
What are the key properties of methyl 2-[6-[(4-chlorophenyl)carbamoylamino]-2-phenylquinolin-4-yl]oxyacetate?
methyl 2-[6-[(4-chlorophenyl)carbamoylamino]-2-phenylquinolin-4-yl]oxyacetate has a molecular weight of 461.91 g/mol, XLogP of 5.75, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[6-[(4-chlorophenyl)carbamoylamino]-2-phenylquinolin-4-yl]oxyacetate is sourced from PubChem (CID 46385061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).