ethyl 2-(4-bromophenyl)-6,8-dimethylquinoline-4-carboxylate

C20H18BrNO2 — CID 17261151

IUPACethyl 2-(4-bromophenyl)-6,8-dimethylquinoline-4-carboxylate
SMILESCCOC(=O)c1cc(-c2ccc(Br)cc2)nc2c(C)cc(C)cc12
InChIInChI=1S/C20H18BrNO2/c1-4-24-20(23)17-11-18(14-5-7-15(21)8-6-14)22-19-13(3)9-12(2)10-16(17)19/h5-11H,4H2,1-3H3
InChIKeyARQQRUJIXMRZHY-UHFFFAOYSA-N
MW384.27 g/mol
LogP5.46
Rot. Bonds3

About ethyl 2-(4-bromophenyl)-6,8-dimethylquinoline-4-carboxylate

ethyl 2-(4-bromophenyl)-6,8-dimethylquinoline-4-carboxylate (PubChem CID 17261151) has the molecular formula C20H18BrNO2 and a molecular weight of 384.27 g/mol. Its IUPAC name is ethyl 2-(4-bromophenyl)-6,8-dimethylquinoline-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-(4-bromophenyl)-6,8-dimethylquinoline-4-carboxylate
PubChem CID17261151
Molecular FormulaC20H18BrNO2
Molecular Weight384.27 g/mol
Exact Mass383.05
IUPAC Nameethyl 2-(4-bromophenyl)-6,8-dimethylquinoline-4-carboxylate
SMILESCCOC(=O)c1cc(-c2ccc(Br)cc2)nc2c(C)cc(C)cc12
InChIInChI=1S/C20H18BrNO2/c1-4-24-20(23)17-11-18(14-5-7-15(21)8-6-14)22-19-13(3)9-12(2)10-16(17)19/h5-11H,4H2,1-3H3
InChIKeyARQQRUJIXMRZHY-UHFFFAOYSA-N
XLogP5.46
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.27
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-(4-bromophenyl)-6,8-dimethylquinoline-4-carboxylate
CID 19648155
(2,5-dimethylphenyl) 2-(4-bromophenyl)-6,8-dimethylquinoline-4-carboxylate
CID 17261744
(4-phenylphenyl) 2-(4-bromophenyl)-6,8-dimethylquinoline-4-carboxylate
CID 17257947
2-methylpropyl 6,8-dimethyl-2-(4-methylphenyl)quinoline-4-carboxylate
CID 19648264
(4-bromophenyl) 6,8-dimethyl-2-phenylquinoline-4-carboxylate
CID 19648109
N-(4-bromo-2-ethylphenyl)-2-(4-bromophenyl)-6,8-dimethylquinoline-4-carboxamide
CID 17258303
ethyl 6-(4-bromophenyl)-1H-pyrazolo[5,4-b]pyridine-4-carboxylate
CID 68787287
propan-2-yl 6,8-dimethyl-2-(4-methylphenyl)quinoline-4-carboxylate
CID 19648262
[4-(2-phenylpropan-2-yl)phenyl] 2-(4-bromophenyl)-6,8-dimethylquinoline-4-carboxylate
CID 19648142
(3,4-dimethylphenyl) 6,8-dimethyl-2-(4-methylphenyl)quinoline-4-carboxylate
CID 19648258
2-(4-butoxyphenyl)-6,8-dimethylquinoline-4-carboxylic acid
CID 25218882
(4-phenylphenyl) 6,8-dimethyl-2-(4-methylphenyl)quinoline-4-carboxylate
CID 19648246

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-bromophenyl)-6,8-dimethylquinoline-4-carboxylate?
The IUPAC name of ethyl 2-(4-bromophenyl)-6,8-dimethylquinoline-4-carboxylate (CID 17261151) is ethyl 2-(4-bromophenyl)-6,8-dimethylquinoline-4-carboxylate.
What is the SMILES notation for ethyl 2-(4-bromophenyl)-6,8-dimethylquinoline-4-carboxylate?
The canonical SMILES for ethyl 2-(4-bromophenyl)-6,8-dimethylquinoline-4-carboxylate is CCOC(=O)c1cc(-c2ccc(Br)cc2)nc2c(C)cc(C)cc12.
What is the InChIKey of ethyl 2-(4-bromophenyl)-6,8-dimethylquinoline-4-carboxylate?
The InChIKey is ARQQRUJIXMRZHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18BrNO2/c1-4-24-20(23)17-11-18(14-5-7-15(21)8-6-14)22-19-13(3)9-12(2)10-16(17)19/h5-11H,4H2,1-3H3.
What are the key properties of ethyl 2-(4-bromophenyl)-6,8-dimethylquinoline-4-carboxylate?
ethyl 2-(4-bromophenyl)-6,8-dimethylquinoline-4-carboxylate has a molecular weight of 384.27 g/mol, XLogP of 5.46, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-bromophenyl)-6,8-dimethylquinoline-4-carboxylate is sourced from PubChem (CID 17261151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).