ethyl 8-bromo-4-[(4-methoxyphenyl)methylamino]quinoline-3-carboxylate

C20H19BrN2O3 — CID 86692233

IUPACethyl 8-bromo-4-[(4-methoxyphenyl)methylamino]quinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2c(Br)cccc2c1NCc1ccc(OC)cc1
InChIInChI=1S/C20H19BrN2O3/c1-3-26-20(24)16-12-23-19-15(5-4-6-17(19)21)18(16)22-11-13-7-9-14(25-2)10-8-13/h4-10,12H,3,11H2,1-2H3,(H,22,23)
InChIKeyHDPICCLFJUNNSA-UHFFFAOYSA-N
MW415.29 g/mol
LogP4.79
Rot. Bonds6

About ethyl 8-bromo-4-[(4-methoxyphenyl)methylamino]quinoline-3-carboxylate

ethyl 8-bromo-4-[(4-methoxyphenyl)methylamino]quinoline-3-carboxylate (PubChem CID 86692233) has the molecular formula C20H19BrN2O3 and a molecular weight of 415.29 g/mol. Its IUPAC name is ethyl 8-bromo-4-[(4-methoxyphenyl)methylamino]quinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 8-bromo-4-[(4-methoxyphenyl)methylamino]quinoline-3-carboxylate
PubChem CID86692233
Molecular FormulaC20H19BrN2O3
Molecular Weight415.29 g/mol
Exact Mass414.06
IUPAC Nameethyl 8-bromo-4-[(4-methoxyphenyl)methylamino]quinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2c(Br)cccc2c1NCc1ccc(OC)cc1
InChIInChI=1S/C20H19BrN2O3/c1-3-26-20(24)16-12-23-19-15(5-4-6-17(19)21)18(16)22-11-13-7-9-14(25-2)10-8-13/h4-10,12H,3,11H2,1-2H3,(H,22,23)
InChIKeyHDPICCLFJUNNSA-UHFFFAOYSA-N
XLogP4.79
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.29
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 8-bromo-4-[(4-methoxyphenyl)methylamino]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 6-bromo-7-methoxy-4-[(4-methoxyphenyl)methylamino]quinoline-3-carboxylate
CID 151694094
ethyl 4-(benzylamino)-7-chloro-8-methylquinoline-3-carboxylate;hydrochloride
CID 2789452
ethyl 8-amino-4-[(2-methoxyphenyl)methylamino]quinoline-3-carboxylate
CID 10247376
ethyl 4-[[(2R)-2-hydroxypropyl]amino]-8-methoxyquinoline-3-carboxylate
CID 708704
methyl 8-bromo-4-(methylamino)quinoline-3-carboxylate
CID 102614849
ethyl 4-(2,5-dimethoxyanilino)-8-methoxyquinoline-3-carboxylate
CID 22333868
ethyl 8-chloro-4-(2-phenylethylamino)quinoline-3-carboxylate
CID 1181324
ethyl 8-amino-4-[[3-(trifluoromethyl)phenyl]methylamino]quinoline-3-carboxylate
CID 10068907
ethyl 4-hydrazinyl-8-iodoquinoline-3-carboxylate
CID 62250848
ethyl 4-bromo-8-chloroquinoline-3-carboxylate
CID 17040074
ethyl 8-chloro-4-(4-ethoxyanilino)quinoline-3-carboxylate
CID 1181319
ethyl 2-[(4-fluorophenyl)methylamino]-4-[(4-methoxyphenyl)methylamino]pyrimidine-5-carboxylate
CID 178100051

Frequently Asked Questions

What is the IUPAC name of ethyl 8-bromo-4-[(4-methoxyphenyl)methylamino]quinoline-3-carboxylate?
The IUPAC name of ethyl 8-bromo-4-[(4-methoxyphenyl)methylamino]quinoline-3-carboxylate (CID 86692233) is ethyl 8-bromo-4-[(4-methoxyphenyl)methylamino]quinoline-3-carboxylate.
What is the SMILES notation for ethyl 8-bromo-4-[(4-methoxyphenyl)methylamino]quinoline-3-carboxylate?
The canonical SMILES for ethyl 8-bromo-4-[(4-methoxyphenyl)methylamino]quinoline-3-carboxylate is CCOC(=O)c1cnc2c(Br)cccc2c1NCc1ccc(OC)cc1.
What is the InChIKey of ethyl 8-bromo-4-[(4-methoxyphenyl)methylamino]quinoline-3-carboxylate?
The InChIKey is HDPICCLFJUNNSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19BrN2O3/c1-3-26-20(24)16-12-23-19-15(5-4-6-17(19)21)18(16)22-11-13-7-9-14(25-2)10-8-13/h4-10,12H,3,11H2,1-2H3,(H,22,23).
What are the key properties of ethyl 8-bromo-4-[(4-methoxyphenyl)methylamino]quinoline-3-carboxylate?
ethyl 8-bromo-4-[(4-methoxyphenyl)methylamino]quinoline-3-carboxylate has a molecular weight of 415.29 g/mol, XLogP of 4.79, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 8-bromo-4-[(4-methoxyphenyl)methylamino]quinoline-3-carboxylate is sourced from PubChem (CID 86692233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).