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

C20H19ClN2O2 — CID 1186854

IUPACethyl 6-chloro-8-methyl-4-(3-methylanilino)quinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2c(C)cc(Cl)cc2c1Nc1cccc(C)c1
InChIInChI=1S/C20H19ClN2O2/c1-4-25-20(24)17-11-22-18-13(3)9-14(21)10-16(18)19(17)23-15-7-5-6-12(2)8-15/h5-11H,4H2,1-3H3,(H,22,23)
InChIKeyKZNBKKGCBAFNKY-UHFFFAOYSA-N
MW354.84 g/mol
LogP5.43
Rot. Bonds4

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

ethyl 6-chloro-8-methyl-4-(3-methylanilino)quinoline-3-carboxylate (PubChem CID 1186854) has the molecular formula C20H19ClN2O2 and a molecular weight of 354.84 g/mol. Its IUPAC name is ethyl 6-chloro-8-methyl-4-(3-methylanilino)quinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-chloro-8-methyl-4-(3-methylanilino)quinoline-3-carboxylate
PubChem CID1186854
Molecular FormulaC20H19ClN2O2
Molecular Weight354.84 g/mol
Exact Mass354.11
IUPAC Nameethyl 6-chloro-8-methyl-4-(3-methylanilino)quinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2c(C)cc(Cl)cc2c1Nc1cccc(C)c1
InChIInChI=1S/C20H19ClN2O2/c1-4-25-20(24)17-11-22-18-13(3)9-14(21)10-16(18)19(17)23-15-7-5-6-12(2)8-15/h5-11H,4H2,1-3H3,(H,22,23)
InChIKeyKZNBKKGCBAFNKY-UHFFFAOYSA-N
XLogP5.43
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.84
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(6-chloro-3-ethoxycarbonyl-8-methylquinolin-4-yl)amino]benzoic acid;hydrochloride
CID 2790542
ethyl 4-(3-hydroxyanilino)-6,8-dimethylquinoline-3-carboxylate;hydrochloride
CID 2790780
ethyl 6,8-difluoro-4-(3-methylanilino)quinoline-3-carboxylate
CID 23239653
ethyl 4-(3-hydroxyanilino)-8-methylquinoline-3-carboxylate
CID 700745
ethyl 6-chloro-8-methyl-4-(propylamino)quinoline-3-carboxylate
CID 63486439
ethyl 6-chloro-4-(2-hydroxypropylamino)-8-methylquinoline-3-carboxylate
CID 2791591
ethyl 4-anilino-8-chloroquinoline-3-carboxylate
CID 728783
ethyl 7-chloro-4-(3-chloroanilino)quinoline-3-carboxylate
CID 102267989
ethyl 8-chloro-4-(4-methylanilino)quinoline-3-carboxylate
CID 709130
ethyl 6-bromo-4-(3-chloroanilino)quinoline-3-carboxylate
CID 23848765
3-carbamoyl-8-methyl-4-(3-methylanilino)quinoline-6-carboxylic acid
CID 58946117
3-[(6-chloro-3-ethoxycarbonyl-8-methylquinolin-4-yl)amino]propyl-dimethylazanium
CID 3354209

Frequently Asked Questions

What is the IUPAC name of ethyl 6-chloro-8-methyl-4-(3-methylanilino)quinoline-3-carboxylate?
The IUPAC name of ethyl 6-chloro-8-methyl-4-(3-methylanilino)quinoline-3-carboxylate (CID 1186854) is ethyl 6-chloro-8-methyl-4-(3-methylanilino)quinoline-3-carboxylate.
What is the SMILES notation for ethyl 6-chloro-8-methyl-4-(3-methylanilino)quinoline-3-carboxylate?
The canonical SMILES for ethyl 6-chloro-8-methyl-4-(3-methylanilino)quinoline-3-carboxylate is CCOC(=O)c1cnc2c(C)cc(Cl)cc2c1Nc1cccc(C)c1.
What is the InChIKey of ethyl 6-chloro-8-methyl-4-(3-methylanilino)quinoline-3-carboxylate?
The InChIKey is KZNBKKGCBAFNKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O2/c1-4-25-20(24)17-11-22-18-13(3)9-14(21)10-16(18)19(17)23-15-7-5-6-12(2)8-15/h5-11H,4H2,1-3H3,(H,22,23).
What are the key properties of ethyl 6-chloro-8-methyl-4-(3-methylanilino)quinoline-3-carboxylate?
ethyl 6-chloro-8-methyl-4-(3-methylanilino)quinoline-3-carboxylate has a molecular weight of 354.84 g/mol, XLogP of 5.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-chloro-8-methyl-4-(3-methylanilino)quinoline-3-carboxylate is sourced from PubChem (CID 1186854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).