ethyl 6-bromo-4-(3-chloroanilino)quinoline-3-carboxylate

C18H14BrClN2O2 — CID 23848765

IUPACethyl 6-bromo-4-(3-chloroanilino)quinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2ccc(Br)cc2c1Nc1cccc(Cl)c1
InChIInChI=1S/C18H14BrClN2O2/c1-2-24-18(23)15-10-21-16-7-6-11(19)8-14(16)17(15)22-13-5-3-4-12(20)9-13/h3-10H,2H2,1H3,(H,21,22)
InChIKeyNPLXZIOTIPNXEB-UHFFFAOYSA-N
MW405.68 g/mol
LogP5.57
Rot. Bonds4

About ethyl 6-bromo-4-(3-chloroanilino)quinoline-3-carboxylate

ethyl 6-bromo-4-(3-chloroanilino)quinoline-3-carboxylate (PubChem CID 23848765) has the molecular formula C18H14BrClN2O2 and a molecular weight of 405.68 g/mol. Its IUPAC name is ethyl 6-bromo-4-(3-chloroanilino)quinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-bromo-4-(3-chloroanilino)quinoline-3-carboxylate
PubChem CID23848765
Molecular FormulaC18H14BrClN2O2
Molecular Weight405.68 g/mol
Exact Mass403.99
IUPAC Nameethyl 6-bromo-4-(3-chloroanilino)quinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2ccc(Br)cc2c1Nc1cccc(Cl)c1
InChIInChI=1S/C18H14BrClN2O2/c1-2-24-18(23)15-10-21-16-7-6-11(19)8-14(16)17(15)22-13-5-3-4-12(20)9-13/h3-10H,2H2,1H3,(H,21,22)
InChIKeyNPLXZIOTIPNXEB-UHFFFAOYSA-N
XLogP5.57
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.68
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 6-bromo-4-(3-chloroanilino)quinoline-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 7-chloro-4-(3-chloroanilino)quinoline-3-carboxylate
CID 102267989
ethyl 4-(4-acetylanilino)-6-bromoquinoline-3-carboxylate
CID 1189464
ethyl 4-(4-aminoanilino)-6-chloroquinoline-3-carboxylate
CID 66715427
diethyl 4-(3,5-dichloroanilino)quinoline-3,6-dicarboxylate
CID 23878770
ethyl 6-bromo-4-(4-propan-2-yloxycarbonylanilino)quinoline-3-carboxylate
CID 23853008
ethyl 6-bromo-4-[4-(2-methylpropoxy)anilino]quinoline-3-carboxylate
CID 23994873
ethyl 6-chloro-4-(2-phenylhydrazinyl)quinoline-3-carboxylate
CID 17016638
ethyl 4-(3-ethoxycarbonylanilino)-6-methoxyquinoline-3-carboxylate
CID 23885216
3-[(6-ethoxy-3-ethoxycarbonylquinolin-4-yl)amino]benzoic acid
CID 1187193
ethyl 6-bromo-4-[[(2S)-2-hydroxypropyl]amino]quinoline-3-carboxylate
CID 992369
diethyl 4-(4-anilinoanilino)quinoline-3,6-dicarboxylate
CID 23936289
ethyl 6-chloro-8-methyl-4-(3-methylanilino)quinoline-3-carboxylate
CID 1186854

Frequently Asked Questions

What is the IUPAC name of ethyl 6-bromo-4-(3-chloroanilino)quinoline-3-carboxylate?
The IUPAC name of ethyl 6-bromo-4-(3-chloroanilino)quinoline-3-carboxylate (CID 23848765) is ethyl 6-bromo-4-(3-chloroanilino)quinoline-3-carboxylate.
What is the SMILES notation for ethyl 6-bromo-4-(3-chloroanilino)quinoline-3-carboxylate?
The canonical SMILES for ethyl 6-bromo-4-(3-chloroanilino)quinoline-3-carboxylate is CCOC(=O)c1cnc2ccc(Br)cc2c1Nc1cccc(Cl)c1.
What is the InChIKey of ethyl 6-bromo-4-(3-chloroanilino)quinoline-3-carboxylate?
The InChIKey is NPLXZIOTIPNXEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14BrClN2O2/c1-2-24-18(23)15-10-21-16-7-6-11(19)8-14(16)17(15)22-13-5-3-4-12(20)9-13/h3-10H,2H2,1H3,(H,21,22).
What are the key properties of ethyl 6-bromo-4-(3-chloroanilino)quinoline-3-carboxylate?
ethyl 6-bromo-4-(3-chloroanilino)quinoline-3-carboxylate has a molecular weight of 405.68 g/mol, XLogP of 5.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-bromo-4-(3-chloroanilino)quinoline-3-carboxylate is sourced from PubChem (CID 23848765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).