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

C19H17ClN2O2 — CID 709130

IUPACethyl 8-chloro-4-(4-methylanilino)quinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2c(Cl)cccc2c1Nc1ccc(C)cc1
InChIInChI=1S/C19H17ClN2O2/c1-3-24-19(23)15-11-21-18-14(5-4-6-16(18)20)17(15)22-13-9-7-12(2)8-10-13/h4-11H,3H2,1-2H3,(H,21,22)
InChIKeyROVYAGFOVFQAFT-UHFFFAOYSA-N
MW340.81 g/mol
LogP5.12
Rot. Bonds4

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

ethyl 8-chloro-4-(4-methylanilino)quinoline-3-carboxylate (PubChem CID 709130) has the molecular formula C19H17ClN2O2 and a molecular weight of 340.81 g/mol. Its IUPAC name is ethyl 8-chloro-4-(4-methylanilino)quinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 8-chloro-4-(4-methylanilino)quinoline-3-carboxylate
PubChem CID709130
Molecular FormulaC19H17ClN2O2
Molecular Weight340.81 g/mol
Exact Mass340.10
IUPAC Nameethyl 8-chloro-4-(4-methylanilino)quinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2c(Cl)cccc2c1Nc1ccc(C)cc1
InChIInChI=1S/C19H17ClN2O2/c1-3-24-19(23)15-11-21-18-14(5-4-6-16(18)20)17(15)22-13-9-7-12(2)8-10-13/h4-11H,3H2,1-2H3,(H,21,22)
InChIKeyROVYAGFOVFQAFT-UHFFFAOYSA-N
XLogP5.12
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.81
LogP ≤ 55.12
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-ethoxyanilino)quinoline-3-carboxylate
CID 1181319
ethyl 8-chloro-4-(2-ethyl-6-methylanilino)quinoline-3-carboxylate
CID 23733695
ethyl 4-(4-hydroxyanilino)-8-methylquinoline-3-carboxylate;hydrochloride
CID 2790966
ethyl 4,8-dichloroquinoline-3-carboxylate
CID 728974
3-O-ethyl 8-O-methyl 4-(4-hydroxyanilino)quinoline-3,8-dicarboxylate
CID 1191451
4-(4-acetylanilino)-3-ethoxycarbonylquinoline-8-carboxylic acid
CID 1179442
ethyl 8-cyano-4-(4-ethoxycarbonylanilino)quinoline-3-carboxylate
CID 17016669
ethyl 4-bromo-8-chloroquinoline-3-carboxylate
CID 17040074
ethyl 7-chloro-4-(4-ethoxyanilino)-8-methylquinoline-3-carboxylate
CID 1183948
ethyl 4-anilino-8-(dimethylamino)quinoline-3-carboxylate;hydrochloride
CID 13038524
ethyl 8-chloro-4-(2-phenylethylamino)quinoline-3-carboxylate
CID 1181324

Frequently Asked Questions

What is the IUPAC name of ethyl 8-chloro-4-(4-methylanilino)quinoline-3-carboxylate?
The IUPAC name of ethyl 8-chloro-4-(4-methylanilino)quinoline-3-carboxylate (CID 709130) is ethyl 8-chloro-4-(4-methylanilino)quinoline-3-carboxylate.
What is the SMILES notation for ethyl 8-chloro-4-(4-methylanilino)quinoline-3-carboxylate?
The canonical SMILES for ethyl 8-chloro-4-(4-methylanilino)quinoline-3-carboxylate is CCOC(=O)c1cnc2c(Cl)cccc2c1Nc1ccc(C)cc1.
What is the InChIKey of ethyl 8-chloro-4-(4-methylanilino)quinoline-3-carboxylate?
The InChIKey is ROVYAGFOVFQAFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O2/c1-3-24-19(23)15-11-21-18-14(5-4-6-16(18)20)17(15)22-13-9-7-12(2)8-10-13/h4-11H,3H2,1-2H3,(H,21,22).
What are the key properties of ethyl 8-chloro-4-(4-methylanilino)quinoline-3-carboxylate?
ethyl 8-chloro-4-(4-methylanilino)quinoline-3-carboxylate has a molecular weight of 340.81 g/mol, XLogP of 5.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 8-chloro-4-(4-methylanilino)quinoline-3-carboxylate is sourced from PubChem (CID 709130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).