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

C19H21ClN2O4 — CID 53113141

IUPACmethyl 6-chloro-4-[2-(cyclohexylamino)-2-oxoethoxy]quinoline-2-carboxylate
SMILESCOC(=O)c1cc(OCC(=O)NC2CCCCC2)c2cc(Cl)ccc2n1
InChIInChI=1S/C19H21ClN2O4/c1-25-19(24)16-10-17(14-9-12(20)7-8-15(14)22-16)26-11-18(23)21-13-5-3-2-4-6-13/h7-10,13H,2-6,11H2,1H3,(H,21,23)
InChIKeyMSZJTPQGAGBIAP-UHFFFAOYSA-N
MW376.84 g/mol
LogP3.50
Rot. Bonds5

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

methyl 6-chloro-4-[2-(cyclohexylamino)-2-oxoethoxy]quinoline-2-carboxylate (PubChem CID 53113141) has the molecular formula C19H21ClN2O4 and a molecular weight of 376.84 g/mol. Its IUPAC name is methyl 6-chloro-4-[2-(cyclohexylamino)-2-oxoethoxy]quinoline-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-chloro-4-[2-(cyclohexylamino)-2-oxoethoxy]quinoline-2-carboxylate
PubChem CID53113141
Molecular FormulaC19H21ClN2O4
Molecular Weight376.84 g/mol
Exact Mass376.12
IUPAC Namemethyl 6-chloro-4-[2-(cyclohexylamino)-2-oxoethoxy]quinoline-2-carboxylate
SMILESCOC(=O)c1cc(OCC(=O)NC2CCCCC2)c2cc(Cl)ccc2n1
InChIInChI=1S/C19H21ClN2O4/c1-25-19(24)16-10-17(14-9-12(20)7-8-15(14)22-16)26-11-18(23)21-13-5-3-2-4-6-13/h7-10,13H,2-6,11H2,1H3,(H,21,23)
InChIKeyMSZJTPQGAGBIAP-UHFFFAOYSA-N
XLogP3.50
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.84
LogP ≤ 53.50
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-(2-methylanilino)-2-oxoethoxy]quinoline-2-carboxylate
CID 53113151
N-cyclopentyl-2-(2,5-dichlorophenoxy)acetamide
CID 841562
ethyl 6-chloro-4-[2-[(4-methylphenyl)methylamino]-2-oxoethoxy]quinoline-2-carboxylate
CID 53043313
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-(4-chlorophenoxy)-N-cyclooctylacetamide
CID 875180
5-chloro-2-[2-(cyclohexylamino)-2-oxoethoxy]-N-phenylbenzamide
CID 7893364
[2-(cycloheptylamino)-2-oxoethyl] 2,5-dichlorobenzoate
CID 4803859
N-cyclopentyl-2-[[2-(2,4-dichlorophenoxy)acetyl]amino]acetamide
CID 112990888
[2-(cyclopentylamino)-2-oxoethyl] 2-(2,4-dichlorophenoxy)acetate
CID 3987255
[2-(cycloheptylamino)-2-oxoethyl] 3-chlorobenzoate
CID 2121282

Frequently Asked Questions

What is the IUPAC name of methyl 6-chloro-4-[2-(cyclohexylamino)-2-oxoethoxy]quinoline-2-carboxylate?
The IUPAC name of methyl 6-chloro-4-[2-(cyclohexylamino)-2-oxoethoxy]quinoline-2-carboxylate (CID 53113141) is methyl 6-chloro-4-[2-(cyclohexylamino)-2-oxoethoxy]quinoline-2-carboxylate.
What is the SMILES notation for methyl 6-chloro-4-[2-(cyclohexylamino)-2-oxoethoxy]quinoline-2-carboxylate?
The canonical SMILES for methyl 6-chloro-4-[2-(cyclohexylamino)-2-oxoethoxy]quinoline-2-carboxylate is COC(=O)c1cc(OCC(=O)NC2CCCCC2)c2cc(Cl)ccc2n1.
What is the InChIKey of methyl 6-chloro-4-[2-(cyclohexylamino)-2-oxoethoxy]quinoline-2-carboxylate?
The InChIKey is MSZJTPQGAGBIAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O4/c1-25-19(24)16-10-17(14-9-12(20)7-8-15(14)22-16)26-11-18(23)21-13-5-3-2-4-6-13/h7-10,13H,2-6,11H2,1H3,(H,21,23).
What are the key properties of methyl 6-chloro-4-[2-(cyclohexylamino)-2-oxoethoxy]quinoline-2-carboxylate?
methyl 6-chloro-4-[2-(cyclohexylamino)-2-oxoethoxy]quinoline-2-carboxylate has a molecular weight of 376.84 g/mol, XLogP of 3.50, 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-(cyclohexylamino)-2-oxoethoxy]quinoline-2-carboxylate is sourced from PubChem (CID 53113141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).