ethyl 2-[(7-chloro-8-methyl-2-pyridin-2-ylquinoline-4-carbonyl)amino]acetate

C20H18ClN3O3 — CID 2221194

IUPACethyl 2-[(7-chloro-8-methyl-2-pyridin-2-ylquinoline-4-carbonyl)amino]acetate
SMILESCCOC(=O)CNC(=O)c1cc(-c2ccccn2)nc2c(C)c(Cl)ccc12
InChIInChI=1S/C20H18ClN3O3/c1-3-27-18(25)11-23-20(26)14-10-17(16-6-4-5-9-22-16)24-19-12(2)15(21)8-7-13(14)19/h4-10H,3,11H2,1-2H3,(H,23,26)
InChIKeyARDYIBVAAYDSHZ-UHFFFAOYSA-N
MW383.84 g/mol
LogP3.55
Rot. Bonds5

About ethyl 2-[(7-chloro-8-methyl-2-pyridin-2-ylquinoline-4-carbonyl)amino]acetate

ethyl 2-[(7-chloro-8-methyl-2-pyridin-2-ylquinoline-4-carbonyl)amino]acetate (PubChem CID 2221194) has the molecular formula C20H18ClN3O3 and a molecular weight of 383.84 g/mol. Its IUPAC name is ethyl 2-[(7-chloro-8-methyl-2-pyridin-2-ylquinoline-4-carbonyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[(7-chloro-8-methyl-2-pyridin-2-ylquinoline-4-carbonyl)amino]acetate
PubChem CID2221194
Molecular FormulaC20H18ClN3O3
Molecular Weight383.84 g/mol
Exact Mass383.10
IUPAC Nameethyl 2-[(7-chloro-8-methyl-2-pyridin-2-ylquinoline-4-carbonyl)amino]acetate
SMILESCCOC(=O)CNC(=O)c1cc(-c2ccccn2)nc2c(C)c(Cl)ccc12
InChIInChI=1S/C20H18ClN3O3/c1-3-27-18(25)11-23-20(26)14-10-17(16-6-4-5-9-22-16)24-19-12(2)15(21)8-7-13(14)19/h4-10H,3,11H2,1-2H3,(H,23,26)
InChIKeyARDYIBVAAYDSHZ-UHFFFAOYSA-N
XLogP3.55
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.84
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Methyl 2-{[2-(pyridin-4-yl)quinolin-4-yl]formamido}acetate
CID 2349755
Methyl 2-[(6-methyl-2-(4-pyridyl)-4-quinolyl)carbonylamino]acetate
CID 1261286
7-Chloro-8-methyl-2-(2-pyridinyl)-4-quinolinecarboxamide
CID 2220966
2-(4-chlorophenyl)-N-(pyridin-2-ylmethyl)quinoline-4-carboxamide
CID 1223053
4-(2-chlorophenyl)-N-(2-hydroxyethyl)-5,7-dimethyl-6-(4-pyridyl)quinoline-2-carboxamide
CID 126593951
methyl N-{[7-chloro-8-methyl-2-(4-pyridinyl)-4-quinolinyl]carbonyl}glycinate
CID 1257142
2-(2-chlorophenyl)-N-(2-pyridinylmethyl)-4-quinolinecarboxamide
CID 2164483
2-(2-chlorophenyl)-N-(2-pyridin-2-ylethyl)quinoline-4-carboxamide
CID 2537344
N-(2-chlorobenzyl)-2-(1-(2-morpholino-2-oxoethyl)-1H-indol-3-yl)-2-oxoacetamide
CID 4081381
N-(4-chlorobenzyl)-2-(1-(2-morpholino-2-oxoethyl)-1H-indol-3-yl)-2-oxoacetamide
CID 4081388
N-[2-(4-chlorophenyl)ethyl]-2-pyridin-2-ylquinoline-4-carboxamide
CID 5072967
7-chloro-8-methyl-2-(pyridin-3-yl)-N-(pyridin-4-yl)quinoline-4-carboxamide
CID 17372856

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(7-chloro-8-methyl-2-pyridin-2-ylquinoline-4-carbonyl)amino]acetate?
The IUPAC name of ethyl 2-[(7-chloro-8-methyl-2-pyridin-2-ylquinoline-4-carbonyl)amino]acetate (CID 2221194) is ethyl 2-[(7-chloro-8-methyl-2-pyridin-2-ylquinoline-4-carbonyl)amino]acetate.
What is the SMILES notation for ethyl 2-[(7-chloro-8-methyl-2-pyridin-2-ylquinoline-4-carbonyl)amino]acetate?
The canonical SMILES for ethyl 2-[(7-chloro-8-methyl-2-pyridin-2-ylquinoline-4-carbonyl)amino]acetate is CCOC(=O)CNC(=O)c1cc(-c2ccccn2)nc2c(C)c(Cl)ccc12.
What is the InChIKey of ethyl 2-[(7-chloro-8-methyl-2-pyridin-2-ylquinoline-4-carbonyl)amino]acetate?
The InChIKey is ARDYIBVAAYDSHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O3/c1-3-27-18(25)11-23-20(26)14-10-17(16-6-4-5-9-22-16)24-19-12(2)15(21)8-7-13(14)19/h4-10H,3,11H2,1-2H3,(H,23,26).
What are the key properties of ethyl 2-[(7-chloro-8-methyl-2-pyridin-2-ylquinoline-4-carbonyl)amino]acetate?
ethyl 2-[(7-chloro-8-methyl-2-pyridin-2-ylquinoline-4-carbonyl)amino]acetate has a molecular weight of 383.84 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(7-chloro-8-methyl-2-pyridin-2-ylquinoline-4-carbonyl)amino]acetate is sourced from PubChem (CID 2221194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).