ethyl 4-(3-bromo-4-methylanilino)-6-methoxyquinoline-3-carboxylate

C20H19BrN2O3 — CID 23903151

IUPACethyl 4-(3-bromo-4-methylanilino)-6-methoxyquinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2ccc(OC)cc2c1Nc1ccc(C)c(Br)c1
InChIInChI=1S/C20H19BrN2O3/c1-4-26-20(24)16-11-22-18-8-7-14(25-3)10-15(18)19(16)23-13-6-5-12(2)17(21)9-13/h5-11H,4H2,1-3H3,(H,22,23)
InChIKeyVUOSABLQVKZPFE-UHFFFAOYSA-N
MW415.29 g/mol
LogP5.23
Rot. Bonds5

About ethyl 4-(3-bromo-4-methylanilino)-6-methoxyquinoline-3-carboxylate

ethyl 4-(3-bromo-4-methylanilino)-6-methoxyquinoline-3-carboxylate (PubChem CID 23903151) has the molecular formula C20H19BrN2O3 and a molecular weight of 415.29 g/mol. Its IUPAC name is ethyl 4-(3-bromo-4-methylanilino)-6-methoxyquinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-(3-bromo-4-methylanilino)-6-methoxyquinoline-3-carboxylate
PubChem CID23903151
Molecular FormulaC20H19BrN2O3
Molecular Weight415.29 g/mol
Exact Mass414.06
IUPAC Nameethyl 4-(3-bromo-4-methylanilino)-6-methoxyquinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2ccc(OC)cc2c1Nc1ccc(C)c(Br)c1
InChIInChI=1S/C20H19BrN2O3/c1-4-26-20(24)16-11-22-18-8-7-14(25-3)10-15(18)19(16)23-13-6-5-12(2)17(21)9-13/h5-11H,4H2,1-3H3,(H,22,23)
InChIKeyVUOSABLQVKZPFE-UHFFFAOYSA-N
XLogP5.23
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.29
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-(3-ethoxycarbonylanilino)-6-methoxyquinoline-3-carboxylate
CID 23885216
ethyl 4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-6-methoxyquinoline-3-carboxylate
CID 1032904
3-[(3-ethoxycarbonyl-6-methoxyquinolin-4-yl)amino]benzoic acid;hydrochloride
CID 2790549
ethyl 6-methoxy-4-(methylamino)quinoline-3-carboxylate
CID 46397911
ethyl 4-(3-methoxyanilino)quinoline-3-carboxylate
CID 709089
ethyl 4-(2-hydroxypropylamino)-6-methoxyquinoline-3-carboxylate
CID 2791600
ethyl 6-ethoxy-4-(4-propan-2-ylanilino)quinoline-3-carboxylate
CID 22333888
ethyl 6-bromo-4-[4-(2-methylpropoxy)anilino]quinoline-3-carboxylate
CID 23994873
3-[(6-ethoxy-3-ethoxycarbonylquinolin-4-yl)amino]benzoic acid
CID 1187193
ethyl 4-(4-acetylanilino)-6-bromoquinoline-3-carboxylate
CID 1189464
4-bromo-6-methoxyquinoline-3-carboxylic acid;ethyl 4-bromo-6-methoxyquinoline-3-carboxylate
CID 68806216
ethyl 4-(4-methoxycarbonylanilino)-6-methylquinoline-3-carboxylate
CID 1180834

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(3-bromo-4-methylanilino)-6-methoxyquinoline-3-carboxylate?
The IUPAC name of ethyl 4-(3-bromo-4-methylanilino)-6-methoxyquinoline-3-carboxylate (CID 23903151) is ethyl 4-(3-bromo-4-methylanilino)-6-methoxyquinoline-3-carboxylate.
What is the SMILES notation for ethyl 4-(3-bromo-4-methylanilino)-6-methoxyquinoline-3-carboxylate?
The canonical SMILES for ethyl 4-(3-bromo-4-methylanilino)-6-methoxyquinoline-3-carboxylate is CCOC(=O)c1cnc2ccc(OC)cc2c1Nc1ccc(C)c(Br)c1.
What is the InChIKey of ethyl 4-(3-bromo-4-methylanilino)-6-methoxyquinoline-3-carboxylate?
The InChIKey is VUOSABLQVKZPFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19BrN2O3/c1-4-26-20(24)16-11-22-18-8-7-14(25-3)10-15(18)19(16)23-13-6-5-12(2)17(21)9-13/h5-11H,4H2,1-3H3,(H,22,23).
What are the key properties of ethyl 4-(3-bromo-4-methylanilino)-6-methoxyquinoline-3-carboxylate?
ethyl 4-(3-bromo-4-methylanilino)-6-methoxyquinoline-3-carboxylate has a molecular weight of 415.29 g/mol, XLogP of 5.23, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(3-bromo-4-methylanilino)-6-methoxyquinoline-3-carboxylate is sourced from PubChem (CID 23903151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).