ethyl 4-[2-(4-bromoanilino)-2-oxoethoxy]-6-chloroquinoline-2-carboxylate

C20H16BrClN2O4 — CID 22425199

IUPACethyl 4-[2-(4-bromoanilino)-2-oxoethoxy]-6-chloroquinoline-2-carboxylate
SMILESCCOC(=O)c1cc(OCC(=O)Nc2ccc(Br)cc2)c2cc(Cl)ccc2n1
InChIInChI=1S/C20H16BrClN2O4/c1-2-27-20(26)17-10-18(15-9-13(22)5-8-16(15)24-17)28-11-19(25)23-14-6-3-12(21)4-7-14/h3-10H,2,11H2,1H3,(H,23,25)
InChIKeyHJQSJJUMOLJJGP-UHFFFAOYSA-N
MW463.72 g/mol
LogP4.84
Rot. Bonds6

About ethyl 4-[2-(4-bromoanilino)-2-oxoethoxy]-6-chloroquinoline-2-carboxylate

ethyl 4-[2-(4-bromoanilino)-2-oxoethoxy]-6-chloroquinoline-2-carboxylate (PubChem CID 22425199) has the molecular formula C20H16BrClN2O4 and a molecular weight of 463.72 g/mol. Its IUPAC name is ethyl 4-[2-(4-bromoanilino)-2-oxoethoxy]-6-chloroquinoline-2-carboxylate.

Molecular Properties

Compound Nameethyl 4-[2-(4-bromoanilino)-2-oxoethoxy]-6-chloroquinoline-2-carboxylate
PubChem CID22425199
Molecular FormulaC20H16BrClN2O4
Molecular Weight463.72 g/mol
Exact Mass462.00
IUPAC Nameethyl 4-[2-(4-bromoanilino)-2-oxoethoxy]-6-chloroquinoline-2-carboxylate
SMILESCCOC(=O)c1cc(OCC(=O)Nc2ccc(Br)cc2)c2cc(Cl)ccc2n1
InChIInChI=1S/C20H16BrClN2O4/c1-2-27-20(26)17-10-18(15-9-13(22)5-8-16(15)24-17)28-11-19(25)23-14-6-3-12(21)4-7-14/h3-10H,2,11H2,1H3,(H,23,25)
InChIKeyHJQSJJUMOLJJGP-UHFFFAOYSA-N
XLogP4.84
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.72
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 4-[2-(4-bromoanilino)-2-oxoethoxy]-6-chloroquinoline-2-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

methyl 4-[2-(4-bromoanilino)-2-oxoethoxy]-6-methylquinoline-2-carboxylate
CID 53002897
ethyl 6-chloro-4-[2-[(4-methylphenyl)methylamino]-2-oxoethoxy]quinoline-2-carboxylate
CID 53043313
methyl 6-chloro-4-[2-(3,5-dimethoxyanilino)-2-oxoethoxy]quinoline-2-carboxylate
CID 53113162
methyl 6-chloro-4-[2-(3-methoxyanilino)-2-oxoethoxy]quinoline-2-carboxylate
CID 53113143
methyl 6-chloro-4-[2-(2-methylanilino)-2-oxoethoxy]quinoline-2-carboxylate
CID 53113151
ethyl 4-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]benzoate
CID 5254135
methyl 4-[2-(3-chloro-4-methylanilino)-2-oxoethoxy]-6-methylquinoline-2-carboxylate
CID 53112980
ethyl 4-[2-(4-chloroanilino)-2-oxoethoxy]-2-(3-methoxyphenyl)quinoline-6-carboxylate
CID 46298722
methyl 6-chloro-4-[2-(cyclohexylamino)-2-oxoethoxy]quinoline-2-carboxylate
CID 53113141
ethyl 6-chloro-4-(3,4-difluoroanilino)quinoline-2-carboxylate
CID 22425307
methyl 4-[2-(3,4-dimethylanilino)-2-oxoethoxy]-6-fluoroquinoline-2-carboxylate
CID 53113086
methyl 4-[2-(3-chloroanilino)-2-oxoethoxy]-6,7-dimethoxyquinoline-2-carboxylate
CID 53002397

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-(4-bromoanilino)-2-oxoethoxy]-6-chloroquinoline-2-carboxylate?
The IUPAC name of ethyl 4-[2-(4-bromoanilino)-2-oxoethoxy]-6-chloroquinoline-2-carboxylate (CID 22425199) is ethyl 4-[2-(4-bromoanilino)-2-oxoethoxy]-6-chloroquinoline-2-carboxylate.
What is the SMILES notation for ethyl 4-[2-(4-bromoanilino)-2-oxoethoxy]-6-chloroquinoline-2-carboxylate?
The canonical SMILES for ethyl 4-[2-(4-bromoanilino)-2-oxoethoxy]-6-chloroquinoline-2-carboxylate is CCOC(=O)c1cc(OCC(=O)Nc2ccc(Br)cc2)c2cc(Cl)ccc2n1.
What is the InChIKey of ethyl 4-[2-(4-bromoanilino)-2-oxoethoxy]-6-chloroquinoline-2-carboxylate?
The InChIKey is HJQSJJUMOLJJGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16BrClN2O4/c1-2-27-20(26)17-10-18(15-9-13(22)5-8-16(15)24-17)28-11-19(25)23-14-6-3-12(21)4-7-14/h3-10H,2,11H2,1H3,(H,23,25).
What are the key properties of ethyl 4-[2-(4-bromoanilino)-2-oxoethoxy]-6-chloroquinoline-2-carboxylate?
ethyl 4-[2-(4-bromoanilino)-2-oxoethoxy]-6-chloroquinoline-2-carboxylate has a molecular weight of 463.72 g/mol, XLogP of 4.84, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-(4-bromoanilino)-2-oxoethoxy]-6-chloroquinoline-2-carboxylate is sourced from PubChem (CID 22425199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).