methyl 2-[4-[(2-methylquinoline-4-carbonyl)amino]phenoxy]acetate

C20H18N2O4 — CID 55708999

IUPACmethyl 2-[4-[(2-methylquinoline-4-carbonyl)amino]phenoxy]acetate
SMILESCOC(=O)COc1ccc(NC(=O)c2cc(C)nc3ccccc23)cc1
InChIInChI=1S/C20H18N2O4/c1-13-11-17(16-5-3-4-6-18(16)21-13)20(24)22-14-7-9-15(10-8-14)26-12-19(23)25-2/h3-11H,12H2,1-2H3,(H,22,24)
InChIKeyRFYRUOHMUBISJD-UHFFFAOYSA-N
MW350.37 g/mol
LogP3.35
Rot. Bonds5

About methyl 2-[4-[(2-methylquinoline-4-carbonyl)amino]phenoxy]acetate

methyl 2-[4-[(2-methylquinoline-4-carbonyl)amino]phenoxy]acetate (PubChem CID 55708999) has the molecular formula C20H18N2O4 and a molecular weight of 350.37 g/mol. Its IUPAC name is methyl 2-[4-[(2-methylquinoline-4-carbonyl)amino]phenoxy]acetate.

Molecular Properties

Compound Namemethyl 2-[4-[(2-methylquinoline-4-carbonyl)amino]phenoxy]acetate
PubChem CID55708999
Molecular FormulaC20H18N2O4
Molecular Weight350.37 g/mol
Exact Mass350.13
IUPAC Namemethyl 2-[4-[(2-methylquinoline-4-carbonyl)amino]phenoxy]acetate
SMILESCOC(=O)COc1ccc(NC(=O)c2cc(C)nc3ccccc23)cc1
InChIInChI=1S/C20H18N2O4/c1-13-11-17(16-5-3-4-6-18(16)21-13)20(24)22-14-7-9-15(10-8-14)26-12-19(23)25-2/h3-11H,12H2,1-2H3,(H,22,24)
InChIKeyRFYRUOHMUBISJD-UHFFFAOYSA-N
XLogP3.35
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.37
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 2-[4-[(2-methylquinoline-4-carbonyl)amino]phenoxy]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-ethylsulfonylphenyl)-2-methylquinoline-4-carboxamide
CID 42021503
N-(4-methoxyphenyl)-2-phenylquinoline-4-carboxamide
CID 1035332
N'-[2-(4-cyanophenoxy)acetyl]-2-methylquinoline-4-carbohydrazide
CID 9471732
N-[(4-methoxyphenyl)methyl]-2-methylquinoline-4-carboxamide
CID 7959679
2-methoxy-1-(2-methylquinolin-4-yl)ethanone
CID 105115074
2-(4-chlorophenyl)-N-(4-ethoxyphenyl)quinoline-4-carboxamide
CID 3128623
N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-(4-methoxyphenyl)quinoline-4-carboxamide
CID 4622213
2-methyl-N-[3-(trifluoromethoxy)phenyl]quinoline-4-carboxamide
CID 38258538
N-(4-phenylmethoxyphenyl)-2-pyridin-2-ylquinoline-4-carboxamide
CID 1257102
2-methyl-N-[4-(phenoxymethyl)-1,3-thiazol-2-yl]quinoline-4-carboxamide
CID 167925938
N-[(4-ethoxyphenyl)methylideneamino]-2-methylquinoline-4-carboxamide
CID 3318131
N-(5-ethyl-1H-pyrazol-3-yl)-2-methylquinoline-4-carboxamide
CID 115609330

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[(2-methylquinoline-4-carbonyl)amino]phenoxy]acetate?
The IUPAC name of methyl 2-[4-[(2-methylquinoline-4-carbonyl)amino]phenoxy]acetate (CID 55708999) is methyl 2-[4-[(2-methylquinoline-4-carbonyl)amino]phenoxy]acetate.
What is the SMILES notation for methyl 2-[4-[(2-methylquinoline-4-carbonyl)amino]phenoxy]acetate?
The canonical SMILES for methyl 2-[4-[(2-methylquinoline-4-carbonyl)amino]phenoxy]acetate is COC(=O)COc1ccc(NC(=O)c2cc(C)nc3ccccc23)cc1.
What is the InChIKey of methyl 2-[4-[(2-methylquinoline-4-carbonyl)amino]phenoxy]acetate?
The InChIKey is RFYRUOHMUBISJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O4/c1-13-11-17(16-5-3-4-6-18(16)21-13)20(24)22-14-7-9-15(10-8-14)26-12-19(23)25-2/h3-11H,12H2,1-2H3,(H,22,24).
What are the key properties of methyl 2-[4-[(2-methylquinoline-4-carbonyl)amino]phenoxy]acetate?
methyl 2-[4-[(2-methylquinoline-4-carbonyl)amino]phenoxy]acetate has a molecular weight of 350.37 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[(2-methylquinoline-4-carbonyl)amino]phenoxy]acetate is sourced from PubChem (CID 55708999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).