ethyl 7-chloro-6-methoxy-4-(2-methoxy-5-methylanilino)quinoline-3-carboxylate

C21H21ClN2O4 — CID 22333896

IUPACethyl 7-chloro-6-methoxy-4-(2-methoxy-5-methylanilino)quinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2cc(Cl)c(OC)cc2c1Nc1cc(C)ccc1OC
InChIInChI=1S/C21H21ClN2O4/c1-5-28-21(25)14-11-23-16-10-15(22)19(27-4)9-13(16)20(14)24-17-8-12(2)6-7-18(17)26-3/h6-11H,5H2,1-4H3,(H,23,24)
InChIKeyLCQLXIIHHBCFKT-UHFFFAOYSA-N
MW400.86 g/mol
LogP5.13
Rot. Bonds6

About ethyl 7-chloro-6-methoxy-4-(2-methoxy-5-methylanilino)quinoline-3-carboxylate

ethyl 7-chloro-6-methoxy-4-(2-methoxy-5-methylanilino)quinoline-3-carboxylate (PubChem CID 22333896) has the molecular formula C21H21ClN2O4 and a molecular weight of 400.86 g/mol. Its IUPAC name is ethyl 7-chloro-6-methoxy-4-(2-methoxy-5-methylanilino)quinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 7-chloro-6-methoxy-4-(2-methoxy-5-methylanilino)quinoline-3-carboxylate
PubChem CID22333896
Molecular FormulaC21H21ClN2O4
Molecular Weight400.86 g/mol
Exact Mass400.12
IUPAC Nameethyl 7-chloro-6-methoxy-4-(2-methoxy-5-methylanilino)quinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2cc(Cl)c(OC)cc2c1Nc1cc(C)ccc1OC
InChIInChI=1S/C21H21ClN2O4/c1-5-28-21(25)14-11-23-16-10-15(22)19(27-4)9-13(16)20(14)24-17-8-12(2)6-7-18(17)26-3/h6-11H,5H2,1-4H3,(H,23,24)
InChIKeyLCQLXIIHHBCFKT-UHFFFAOYSA-N
XLogP5.13
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.86
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 7-chloro-6-methoxy-4-(2-methoxy-5-methylanilino)quinoline-3-carboxylate with MolForge

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Related Compounds

ethyl 6-ethoxy-4-(2-methoxy-5-methylanilino)quinoline-3-carboxylate
CID 22333887
ethyl 7-chloro-6-methoxy-4-(methylamino)quinoline-3-carboxylate
CID 54773034
ethyl 8-ethyl-4-(2-methoxy-5-methylanilino)quinoline-3-carboxylate
CID 23821530
ethyl 6-chloro-4-hydrazinyl-7-methoxyquinoline-3-carboxylate
CID 107623171
ethyl 6,8-dichloro-4-(5-chloro-2-methoxyanilino)quinoline-3-carboxylate
CID 23853494
ethyl 7,8-dichloro-4-(2,5-dimethoxyanilino)quinoline-3-carboxylate
CID 23995336
ethyl 7-chloro-4-(dimethylamino)-6-methoxyquinoline-3-carboxylate
CID 54772978
ethyl 4-(5-chloro-2-methoxyanilino)-7-methyl-1,8-naphthyridine-3-carboxylate
CID 19258344
ethyl 4-(4-chloro-2-methoxy-5-methylanilino)-7-(trifluoromethyl)quinoline-3-carboxylate
CID 15992869
ethyl 4-(2,5-dimethoxyanilino)-8-methoxyquinoline-3-carboxylate
CID 22333868
ethyl 8-methoxy-4-(2-methoxyanilino)quinoline-3-carboxylate;hydrochloride
CID 13038443
ethyl 4-(4-methoxycarbonylanilino)-6-methylquinoline-3-carboxylate
CID 1180834

Frequently Asked Questions

What is the IUPAC name of ethyl 7-chloro-6-methoxy-4-(2-methoxy-5-methylanilino)quinoline-3-carboxylate?
The IUPAC name of ethyl 7-chloro-6-methoxy-4-(2-methoxy-5-methylanilino)quinoline-3-carboxylate (CID 22333896) is ethyl 7-chloro-6-methoxy-4-(2-methoxy-5-methylanilino)quinoline-3-carboxylate.
What is the SMILES notation for ethyl 7-chloro-6-methoxy-4-(2-methoxy-5-methylanilino)quinoline-3-carboxylate?
The canonical SMILES for ethyl 7-chloro-6-methoxy-4-(2-methoxy-5-methylanilino)quinoline-3-carboxylate is CCOC(=O)c1cnc2cc(Cl)c(OC)cc2c1Nc1cc(C)ccc1OC.
What is the InChIKey of ethyl 7-chloro-6-methoxy-4-(2-methoxy-5-methylanilino)quinoline-3-carboxylate?
The InChIKey is LCQLXIIHHBCFKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN2O4/c1-5-28-21(25)14-11-23-16-10-15(22)19(27-4)9-13(16)20(14)24-17-8-12(2)6-7-18(17)26-3/h6-11H,5H2,1-4H3,(H,23,24).
What are the key properties of ethyl 7-chloro-6-methoxy-4-(2-methoxy-5-methylanilino)quinoline-3-carboxylate?
ethyl 7-chloro-6-methoxy-4-(2-methoxy-5-methylanilino)quinoline-3-carboxylate has a molecular weight of 400.86 g/mol, XLogP of 5.13, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-chloro-6-methoxy-4-(2-methoxy-5-methylanilino)quinoline-3-carboxylate is sourced from PubChem (CID 22333896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).