ethyl 6-chloro-4-[2-[(4-methylphenyl)methylamino]-2-oxoethoxy]quinoline-2-carboxylate

C22H21ClN2O4 — CID 53043313

IUPACethyl 6-chloro-4-[2-[(4-methylphenyl)methylamino]-2-oxoethoxy]quinoline-2-carboxylate
SMILESCCOC(=O)c1cc(OCC(=O)NCc2ccc(C)cc2)c2cc(Cl)ccc2n1
InChIInChI=1S/C22H21ClN2O4/c1-3-28-22(27)19-11-20(17-10-16(23)8-9-18(17)25-19)29-13-21(26)24-12-15-6-4-14(2)5-7-15/h4-11H,3,12-13H2,1-2H3,(H,24,26)
InChIKeyQLWXDGMXJYWIFV-UHFFFAOYSA-N
MW412.87 g/mol
LogP4.07
Rot. Bonds7

About ethyl 6-chloro-4-[2-[(4-methylphenyl)methylamino]-2-oxoethoxy]quinoline-2-carboxylate

ethyl 6-chloro-4-[2-[(4-methylphenyl)methylamino]-2-oxoethoxy]quinoline-2-carboxylate (PubChem CID 53043313) has the molecular formula C22H21ClN2O4 and a molecular weight of 412.87 g/mol. Its IUPAC name is ethyl 6-chloro-4-[2-[(4-methylphenyl)methylamino]-2-oxoethoxy]quinoline-2-carboxylate.

Molecular Properties

Compound Nameethyl 6-chloro-4-[2-[(4-methylphenyl)methylamino]-2-oxoethoxy]quinoline-2-carboxylate
PubChem CID53043313
Molecular FormulaC22H21ClN2O4
Molecular Weight412.87 g/mol
Exact Mass412.12
IUPAC Nameethyl 6-chloro-4-[2-[(4-methylphenyl)methylamino]-2-oxoethoxy]quinoline-2-carboxylate
SMILESCCOC(=O)c1cc(OCC(=O)NCc2ccc(C)cc2)c2cc(Cl)ccc2n1
InChIInChI=1S/C22H21ClN2O4/c1-3-28-22(27)19-11-20(17-10-16(23)8-9-18(17)25-19)29-13-21(26)24-12-15-6-4-14(2)5-7-15/h4-11H,3,12-13H2,1-2H3,(H,24,26)
InChIKeyQLWXDGMXJYWIFV-UHFFFAOYSA-N
XLogP4.07
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.87
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 6-methoxy-4-[2-[(4-methylphenyl)methylamino]-2-oxoethoxy]quinoline-2-carboxylate
CID 53113031
ethyl 4-[2-(4-bromoanilino)-2-oxoethoxy]-6-chloroquinoline-2-carboxylate
CID 22425199
methyl 4-[2-[(4-methoxyphenyl)methylamino]-2-oxoethoxy]-6-methylquinoline-2-carboxylate
CID 53043317
2-(2-bromo-4-chlorophenoxy)-N-[(4-methylphenyl)methyl]acetamide
CID 1289065
methyl 6-chloro-4-[2-(2-methylanilino)-2-oxoethoxy]quinoline-2-carboxylate
CID 53113151
N-[(4-methylphenyl)methyl]-2-(2-phenylquinolin-4-yl)oxyacetamide
CID 46298662
2-(2-ethoxycarbonylquinolin-4-yl)oxyacetic acid
CID 68600255
diethyl 5-[2-[(4-chlorophenyl)methylamino]-2-oxoethoxy]benzene-1,3-dicarboxylate
CID 7917434
ethyl 4-[2-(benzylamino)-2-oxoethoxy]-2-(4-fluorophenyl)quinoline-6-carboxylate
CID 46298865
ethyl 6-chloro-4-phenylquinoline-2-carboxylate
CID 53355070
2-(6-methoxy-2-methylquinolin-4-yl)oxy-N-[(4-methoxyphenyl)methyl]acetamide
CID 112787491
methyl 6-chloro-4-[2-(3-methoxyanilino)-2-oxoethoxy]quinoline-2-carboxylate
CID 53113143

Frequently Asked Questions

What is the IUPAC name of ethyl 6-chloro-4-[2-[(4-methylphenyl)methylamino]-2-oxoethoxy]quinoline-2-carboxylate?
The IUPAC name of ethyl 6-chloro-4-[2-[(4-methylphenyl)methylamino]-2-oxoethoxy]quinoline-2-carboxylate (CID 53043313) is ethyl 6-chloro-4-[2-[(4-methylphenyl)methylamino]-2-oxoethoxy]quinoline-2-carboxylate.
What is the SMILES notation for ethyl 6-chloro-4-[2-[(4-methylphenyl)methylamino]-2-oxoethoxy]quinoline-2-carboxylate?
The canonical SMILES for ethyl 6-chloro-4-[2-[(4-methylphenyl)methylamino]-2-oxoethoxy]quinoline-2-carboxylate is CCOC(=O)c1cc(OCC(=O)NCc2ccc(C)cc2)c2cc(Cl)ccc2n1.
What is the InChIKey of ethyl 6-chloro-4-[2-[(4-methylphenyl)methylamino]-2-oxoethoxy]quinoline-2-carboxylate?
The InChIKey is QLWXDGMXJYWIFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN2O4/c1-3-28-22(27)19-11-20(17-10-16(23)8-9-18(17)25-19)29-13-21(26)24-12-15-6-4-14(2)5-7-15/h4-11H,3,12-13H2,1-2H3,(H,24,26).
What are the key properties of ethyl 6-chloro-4-[2-[(4-methylphenyl)methylamino]-2-oxoethoxy]quinoline-2-carboxylate?
ethyl 6-chloro-4-[2-[(4-methylphenyl)methylamino]-2-oxoethoxy]quinoline-2-carboxylate has a molecular weight of 412.87 g/mol, XLogP of 4.07, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-chloro-4-[2-[(4-methylphenyl)methylamino]-2-oxoethoxy]quinoline-2-carboxylate is sourced from PubChem (CID 53043313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).