methyl 2-[2-methoxy-4-(quinolin-2-ylcarbamoyl)phenoxy]acetate

C20H18N2O5 — CID 55773339

IUPACmethyl 2-[2-methoxy-4-(quinolin-2-ylcarbamoyl)phenoxy]acetate
SMILESCOC(=O)COc1ccc(C(=O)Nc2ccc3ccccc3n2)cc1OC
InChIInChI=1S/C20H18N2O5/c1-25-17-11-14(7-9-16(17)27-12-19(23)26-2)20(24)22-18-10-8-13-5-3-4-6-15(13)21-18/h3-11H,12H2,1-2H3,(H,21,22,24)
InChIKeyWSGDDGKTWLMYRN-UHFFFAOYSA-N
MW366.37 g/mol
LogP3.05
Rot. Bonds6

About methyl 2-[2-methoxy-4-(quinolin-2-ylcarbamoyl)phenoxy]acetate

methyl 2-[2-methoxy-4-(quinolin-2-ylcarbamoyl)phenoxy]acetate (PubChem CID 55773339) has the molecular formula C20H18N2O5 and a molecular weight of 366.37 g/mol. Its IUPAC name is methyl 2-[2-methoxy-4-(quinolin-2-ylcarbamoyl)phenoxy]acetate.

Molecular Properties

Compound Namemethyl 2-[2-methoxy-4-(quinolin-2-ylcarbamoyl)phenoxy]acetate
PubChem CID55773339
Molecular FormulaC20H18N2O5
Molecular Weight366.37 g/mol
Exact Mass366.12
IUPAC Namemethyl 2-[2-methoxy-4-(quinolin-2-ylcarbamoyl)phenoxy]acetate
SMILESCOC(=O)COc1ccc(C(=O)Nc2ccc3ccccc3n2)cc1OC
InChIInChI=1S/C20H18N2O5/c1-25-17-11-14(7-9-16(17)27-12-19(23)26-2)20(24)22-18-10-8-13-5-3-4-6-15(13)21-18/h3-11H,12H2,1-2H3,(H,21,22,24)
InChIKeyWSGDDGKTWLMYRN-UHFFFAOYSA-N
XLogP3.05
TPSA86.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.37
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-[3,5-dichloro-4-[6-(quinolin-2-ylcarbamoyl)-1H-benzimidazol-2-yl]phenoxy]acetate
CID 66965705
methyl 2-[4-[(4-iodophenyl)carbamoyl]-2-methoxyphenoxy]acetate
CID 55771551
methyl 2-[4-[[2,6-di(propan-2-yl)phenyl]carbamoyl]-2-methoxyphenoxy]acetate
CID 55771702
N'-(3-methoxy-4-propoxybenzoyl)quinoline-2-carbohydrazide
CID 26621825
3-[(2-methoxyphenyl)sulfamoyl]-4-methyl-N-quinolin-2-ylbenzamide
CID 55376485
N-[6-(aminomethyl)-2-pyridinyl]-3,4-dimethoxybenzamide
CID 82343837
N-[3-(quinolin-2-ylcarbamoyl)phenyl]naphthalene-2-carboxamide
CID 91266740
3-methoxy-4-prop-2-enoxy-N-quinolin-3-ylbenzamide
CID 29330284
N-(1,3-benzothiazol-2-yl)-4-butoxy-3-methoxybenzamide
CID 8882733
methyl 2-[2-methoxy-4-[(2-methyl-1,3-thiazol-4-yl)methylcarbamoyl]phenoxy]acetate
CID 55866346
methyl 2-[2-methoxy-4-(2-phenylbutylcarbamoyl)phenoxy]acetate
CID 55773551
2-(2,6-dichloro-4-methoxyphenyl)-N-quinolin-2-yl-3H-benzimidazole-5-carboxamide
CID 173123224

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-methoxy-4-(quinolin-2-ylcarbamoyl)phenoxy]acetate?
The IUPAC name of methyl 2-[2-methoxy-4-(quinolin-2-ylcarbamoyl)phenoxy]acetate (CID 55773339) is methyl 2-[2-methoxy-4-(quinolin-2-ylcarbamoyl)phenoxy]acetate.
What is the SMILES notation for methyl 2-[2-methoxy-4-(quinolin-2-ylcarbamoyl)phenoxy]acetate?
The canonical SMILES for methyl 2-[2-methoxy-4-(quinolin-2-ylcarbamoyl)phenoxy]acetate is COC(=O)COc1ccc(C(=O)Nc2ccc3ccccc3n2)cc1OC.
What is the InChIKey of methyl 2-[2-methoxy-4-(quinolin-2-ylcarbamoyl)phenoxy]acetate?
The InChIKey is WSGDDGKTWLMYRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O5/c1-25-17-11-14(7-9-16(17)27-12-19(23)26-2)20(24)22-18-10-8-13-5-3-4-6-15(13)21-18/h3-11H,12H2,1-2H3,(H,21,22,24).
What are the key properties of methyl 2-[2-methoxy-4-(quinolin-2-ylcarbamoyl)phenoxy]acetate?
methyl 2-[2-methoxy-4-(quinolin-2-ylcarbamoyl)phenoxy]acetate has a molecular weight of 366.37 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-methoxy-4-(quinolin-2-ylcarbamoyl)phenoxy]acetate is sourced from PubChem (CID 55773339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).