ethyl 8-chloro-4-(2-ethyl-6-methylanilino)quinoline-3-carboxylate

C21H21ClN2O2 — CID 23733695

IUPACethyl 8-chloro-4-(2-ethyl-6-methylanilino)quinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2c(Cl)cccc2c1Nc1c(C)cccc1CC
InChIInChI=1S/C21H21ClN2O2/c1-4-14-9-6-8-13(3)18(14)24-19-15-10-7-11-17(22)20(15)23-12-16(19)21(25)26-5-2/h6-12H,4-5H2,1-3H3,(H,23,24)
InChIKeyWPAZRTQEKNOVMO-UHFFFAOYSA-N
MW368.86 g/mol
LogP5.68
Rot. Bonds5

About ethyl 8-chloro-4-(2-ethyl-6-methylanilino)quinoline-3-carboxylate

ethyl 8-chloro-4-(2-ethyl-6-methylanilino)quinoline-3-carboxylate (PubChem CID 23733695) has the molecular formula C21H21ClN2O2 and a molecular weight of 368.86 g/mol. Its IUPAC name is ethyl 8-chloro-4-(2-ethyl-6-methylanilino)quinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 8-chloro-4-(2-ethyl-6-methylanilino)quinoline-3-carboxylate
PubChem CID23733695
Molecular FormulaC21H21ClN2O2
Molecular Weight368.86 g/mol
Exact Mass368.13
IUPAC Nameethyl 8-chloro-4-(2-ethyl-6-methylanilino)quinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2c(Cl)cccc2c1Nc1c(C)cccc1CC
InChIInChI=1S/C21H21ClN2O2/c1-4-14-9-6-8-13(3)18(14)24-19-15-10-7-11-17(22)20(15)23-12-16(19)21(25)26-5-2/h6-12H,4-5H2,1-3H3,(H,23,24)
InChIKeyWPAZRTQEKNOVMO-UHFFFAOYSA-N
XLogP5.68
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.86
LogP ≤ 55.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-anilino-8-chloroquinoline-3-carboxylate
CID 728783
ethyl 8-chloro-4-(4-methylanilino)quinoline-3-carboxylate
CID 709130
ethyl 8-chloro-4-(4-ethoxyanilino)quinoline-3-carboxylate
CID 1181319
ethyl 4,8-dichloroquinoline-3-carboxylate
CID 728974
ethyl 4-bromo-8-chloroquinoline-3-carboxylate
CID 17040074
ethyl 8-chloro-4-(2-phenylethylamino)quinoline-3-carboxylate
CID 1181324
ethyl 4-(3-ethoxycarbonylanilino)-8-ethylquinoline-3-carboxylate
CID 23734415
ethyl 4-(3-hydroxyanilino)-8-methylquinoline-3-carboxylate
CID 700745
ethyl 4-(4-hydroxyanilino)-8-methylquinoline-3-carboxylate;hydrochloride
CID 2790966
ethyl 8-methoxy-4-(2-methylanilino)quinoline-3-carboxylate
CID 13038439
ethyl 4-(2-methylanilino)-8-methylsulfanylquinoline-3-carboxylate
CID 13038499
ethyl 8-ethyl-4-(2-methoxy-5-methylanilino)quinoline-3-carboxylate
CID 23821530

Frequently Asked Questions

What is the IUPAC name of ethyl 8-chloro-4-(2-ethyl-6-methylanilino)quinoline-3-carboxylate?
The IUPAC name of ethyl 8-chloro-4-(2-ethyl-6-methylanilino)quinoline-3-carboxylate (CID 23733695) is ethyl 8-chloro-4-(2-ethyl-6-methylanilino)quinoline-3-carboxylate.
What is the SMILES notation for ethyl 8-chloro-4-(2-ethyl-6-methylanilino)quinoline-3-carboxylate?
The canonical SMILES for ethyl 8-chloro-4-(2-ethyl-6-methylanilino)quinoline-3-carboxylate is CCOC(=O)c1cnc2c(Cl)cccc2c1Nc1c(C)cccc1CC.
What is the InChIKey of ethyl 8-chloro-4-(2-ethyl-6-methylanilino)quinoline-3-carboxylate?
The InChIKey is WPAZRTQEKNOVMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN2O2/c1-4-14-9-6-8-13(3)18(14)24-19-15-10-7-11-17(22)20(15)23-12-16(19)21(25)26-5-2/h6-12H,4-5H2,1-3H3,(H,23,24).
What are the key properties of ethyl 8-chloro-4-(2-ethyl-6-methylanilino)quinoline-3-carboxylate?
ethyl 8-chloro-4-(2-ethyl-6-methylanilino)quinoline-3-carboxylate has a molecular weight of 368.86 g/mol, XLogP of 5.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 8-chloro-4-(2-ethyl-6-methylanilino)quinoline-3-carboxylate is sourced from PubChem (CID 23733695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).