methyl 6-chloro-4-[2-(2-methylanilino)-2-oxoethoxy]quinoline-2-carboxylate

C20H17ClN2O4 — CID 53113151

IUPACmethyl 6-chloro-4-[2-(2-methylanilino)-2-oxoethoxy]quinoline-2-carboxylate
SMILESCOC(=O)c1cc(OCC(=O)Nc2ccccc2C)c2cc(Cl)ccc2n1
InChIInChI=1S/C20H17ClN2O4/c1-12-5-3-4-6-15(12)23-19(24)11-27-18-10-17(20(25)26-2)22-16-8-7-13(21)9-14(16)18/h3-10H,11H2,1-2H3,(H,23,24)
InChIKeyYZPBUJXPQGVHRT-UHFFFAOYSA-N
MW384.82 g/mol
LogP4.00
Rot. Bonds5

About methyl 6-chloro-4-[2-(2-methylanilino)-2-oxoethoxy]quinoline-2-carboxylate

methyl 6-chloro-4-[2-(2-methylanilino)-2-oxoethoxy]quinoline-2-carboxylate (PubChem CID 53113151) has the molecular formula C20H17ClN2O4 and a molecular weight of 384.82 g/mol. Its IUPAC name is methyl 6-chloro-4-[2-(2-methylanilino)-2-oxoethoxy]quinoline-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-chloro-4-[2-(2-methylanilino)-2-oxoethoxy]quinoline-2-carboxylate
PubChem CID53113151
Molecular FormulaC20H17ClN2O4
Molecular Weight384.82 g/mol
Exact Mass384.09
IUPAC Namemethyl 6-chloro-4-[2-(2-methylanilino)-2-oxoethoxy]quinoline-2-carboxylate
SMILESCOC(=O)c1cc(OCC(=O)Nc2ccccc2C)c2cc(Cl)ccc2n1
InChIInChI=1S/C20H17ClN2O4/c1-12-5-3-4-6-15(12)23-19(24)11-27-18-10-17(20(25)26-2)22-16-8-7-13(21)9-14(16)18/h3-10H,11H2,1-2H3,(H,23,24)
InChIKeyYZPBUJXPQGVHRT-UHFFFAOYSA-N
XLogP4.00
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.82
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 6-chloro-4-[2-(3,5-dimethoxyanilino)-2-oxoethoxy]quinoline-2-carboxylate
CID 53113162
methyl 6-chloro-4-[2-(3-methoxyanilino)-2-oxoethoxy]quinoline-2-carboxylate
CID 53113143
methyl 6-chloro-4-[2-(cyclohexylamino)-2-oxoethoxy]quinoline-2-carboxylate
CID 53113141
methyl 4-[2-(4-chloro-2-fluoroanilino)-2-oxoethoxy]-6,7-dimethoxyquinoline-2-carboxylate
CID 53113209
methyl 4-[2-(2,6-dimethylanilino)-2-oxoethoxy]-6-fluoroquinoline-2-carboxylate
CID 53113099
methyl 4-[2-(3-chloro-2-methylanilino)-2-oxoethoxy]-6,7-dimethoxyquinoline-2-carboxylate
CID 53113217
methyl 4-[2-(3-chloro-4-methylanilino)-2-oxoethoxy]-6-methylquinoline-2-carboxylate
CID 53112980
ethyl 4-[2-(4-bromoanilino)-2-oxoethoxy]-6-chloroquinoline-2-carboxylate
CID 22425199
methyl 4-[2-(3-chloroanilino)-2-oxoethoxy]-6,7-dimethoxyquinoline-2-carboxylate
CID 53002397
2-(2-benzoyl-4-chlorophenoxy)-N-(2-methylphenyl)acetamide;ethane
CID 142824393
methyl 4-[2-(3,4-dimethylanilino)-2-oxoethoxy]-6-fluoroquinoline-2-carboxylate
CID 53113086
methyl 4-[2-(4-methoxyanilino)-2-oxoethoxy]quinoline-2-carboxylate
CID 53112938

Frequently Asked Questions

What is the IUPAC name of methyl 6-chloro-4-[2-(2-methylanilino)-2-oxoethoxy]quinoline-2-carboxylate?
The IUPAC name of methyl 6-chloro-4-[2-(2-methylanilino)-2-oxoethoxy]quinoline-2-carboxylate (CID 53113151) is methyl 6-chloro-4-[2-(2-methylanilino)-2-oxoethoxy]quinoline-2-carboxylate.
What is the SMILES notation for methyl 6-chloro-4-[2-(2-methylanilino)-2-oxoethoxy]quinoline-2-carboxylate?
The canonical SMILES for methyl 6-chloro-4-[2-(2-methylanilino)-2-oxoethoxy]quinoline-2-carboxylate is COC(=O)c1cc(OCC(=O)Nc2ccccc2C)c2cc(Cl)ccc2n1.
What is the InChIKey of methyl 6-chloro-4-[2-(2-methylanilino)-2-oxoethoxy]quinoline-2-carboxylate?
The InChIKey is YZPBUJXPQGVHRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN2O4/c1-12-5-3-4-6-15(12)23-19(24)11-27-18-10-17(20(25)26-2)22-16-8-7-13(21)9-14(16)18/h3-10H,11H2,1-2H3,(H,23,24).
What are the key properties of methyl 6-chloro-4-[2-(2-methylanilino)-2-oxoethoxy]quinoline-2-carboxylate?
methyl 6-chloro-4-[2-(2-methylanilino)-2-oxoethoxy]quinoline-2-carboxylate has a molecular weight of 384.82 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-chloro-4-[2-(2-methylanilino)-2-oxoethoxy]quinoline-2-carboxylate is sourced from PubChem (CID 53113151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).