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

C27H25N3O5 — CID 46385068

IUPACmethyl 2-[6-[(2-ethoxyphenyl)carbamoylamino]-2-phenylquinolin-4-yl]oxyacetate
SMILESCCOc1ccccc1NC(=O)Nc1ccc2nc(-c3ccccc3)cc(OCC(=O)OC)c2c1
InChIInChI=1S/C27H25N3O5/c1-3-34-24-12-8-7-11-22(24)30-27(32)28-19-13-14-21-20(15-19)25(35-17-26(31)33-2)16-23(29-21)18-9-5-4-6-10-18/h4-16H,3,17H2,1-2H3,(H2,28,30,32)
InChIKeyMBUORVJAOQOJOV-UHFFFAOYSA-N
MW471.51 g/mol
LogP5.50
Rot. Bonds8

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

methyl 2-[6-[(2-ethoxyphenyl)carbamoylamino]-2-phenylquinolin-4-yl]oxyacetate (PubChem CID 46385068) has the molecular formula C27H25N3O5 and a molecular weight of 471.51 g/mol. Its IUPAC name is methyl 2-[6-[(2-ethoxyphenyl)carbamoylamino]-2-phenylquinolin-4-yl]oxyacetate.

Molecular Properties

Compound Namemethyl 2-[6-[(2-ethoxyphenyl)carbamoylamino]-2-phenylquinolin-4-yl]oxyacetate
PubChem CID46385068
Molecular FormulaC27H25N3O5
Molecular Weight471.51 g/mol
Exact Mass471.18
IUPAC Namemethyl 2-[6-[(2-ethoxyphenyl)carbamoylamino]-2-phenylquinolin-4-yl]oxyacetate
SMILESCCOc1ccccc1NC(=O)Nc1ccc2nc(-c3ccccc3)cc(OCC(=O)OC)c2c1
InChIInChI=1S/C27H25N3O5/c1-3-34-24-12-8-7-11-22(24)30-27(32)28-19-13-14-21-20(15-19)25(35-17-26(31)33-2)16-23(29-21)18-9-5-4-6-10-18/h4-16H,3,17H2,1-2H3,(H2,28,30,32)
InChIKeyMBUORVJAOQOJOV-UHFFFAOYSA-N
XLogP5.50
TPSA98.78 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.51
LogP ≤ 55.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-[6-[(4-chlorophenyl)carbamoylamino]-2-phenylquinolin-4-yl]oxyacetate
CID 46385061
1-(4-ethoxy-2-phenylquinolin-6-yl)-3-(3-methoxyphenyl)urea
CID 46385044
ethyl 2-[6-[(2,5-difluorophenyl)carbamoylamino]-2-phenylquinolin-4-yl]oxyacetate
CID 46385093
methyl 2-[2-(3-chlorophenyl)-6-(phenylcarbamoylamino)quinolin-4-yl]oxyacetate
CID 50827614
1-[4-ethoxy-2-(4-methylphenyl)quinolin-6-yl]-3-[2-(trifluoromethyl)phenyl]urea
CID 50828262
N-(2-ethoxyphenyl)-2-(6-methyl-2-phenylquinolin-4-yl)oxyacetamide
CID 46298833
methyl 2-[6-[(3,4-dimethylphenyl)carbamoylamino]-2-(4-fluorophenyl)quinolin-4-yl]oxyacetate
CID 50827642
methyl 2-[6-(benzylcarbamoylamino)-2-(4-fluorophenyl)quinolin-4-yl]oxyacetate
CID 50827652
methyl 2-[6-[(2-chlorobenzoyl)amino]-2-phenylquinolin-4-yl]oxyacetate
CID 53113511
methyl 2-[6-[(3-fluorophenyl)methylcarbamoylamino]-2-phenylquinolin-4-yl]oxyacetate
CID 46385080
1-(2,4-dimethylphenyl)-3-[4-ethoxy-2-(4-fluorophenyl)quinolin-6-yl]urea
CID 50827596
ethyl 2-[6-[(4-fluorophenyl)methylcarbamoylamino]-2-phenylquinolin-4-yl]oxyacetate
CID 46385090

Frequently Asked Questions

What is the IUPAC name of methyl 2-[6-[(2-ethoxyphenyl)carbamoylamino]-2-phenylquinolin-4-yl]oxyacetate?
The IUPAC name of methyl 2-[6-[(2-ethoxyphenyl)carbamoylamino]-2-phenylquinolin-4-yl]oxyacetate (CID 46385068) is methyl 2-[6-[(2-ethoxyphenyl)carbamoylamino]-2-phenylquinolin-4-yl]oxyacetate.
What is the SMILES notation for methyl 2-[6-[(2-ethoxyphenyl)carbamoylamino]-2-phenylquinolin-4-yl]oxyacetate?
The canonical SMILES for methyl 2-[6-[(2-ethoxyphenyl)carbamoylamino]-2-phenylquinolin-4-yl]oxyacetate is CCOc1ccccc1NC(=O)Nc1ccc2nc(-c3ccccc3)cc(OCC(=O)OC)c2c1.
What is the InChIKey of methyl 2-[6-[(2-ethoxyphenyl)carbamoylamino]-2-phenylquinolin-4-yl]oxyacetate?
The InChIKey is MBUORVJAOQOJOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N3O5/c1-3-34-24-12-8-7-11-22(24)30-27(32)28-19-13-14-21-20(15-19)25(35-17-26(31)33-2)16-23(29-21)18-9-5-4-6-10-18/h4-16H,3,17H2,1-2H3,(H2,28,30,32).
What are the key properties of methyl 2-[6-[(2-ethoxyphenyl)carbamoylamino]-2-phenylquinolin-4-yl]oxyacetate?
methyl 2-[6-[(2-ethoxyphenyl)carbamoylamino]-2-phenylquinolin-4-yl]oxyacetate has a molecular weight of 471.51 g/mol, XLogP of 5.50, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[6-[(2-ethoxyphenyl)carbamoylamino]-2-phenylquinolin-4-yl]oxyacetate is sourced from PubChem (CID 46385068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).