6-bromo-2-(2,4-dimethylphenyl)quinoline-4-carboxylate

C18H13BrNO2- — CID 4747845

IUPAC6-bromo-2-(2,4-dimethylphenyl)quinoline-4-carboxylate
SMILESCc1ccc(-c2cc(C(=O)[O-])c3cc(Br)ccc3n2)c(C)c1
InChIInChI=1S/C18H14BrNO2/c1-10-3-5-13(11(2)7-10)17-9-15(18(21)22)14-8-12(19)4-6-16(14)20-17/h3-9H,1-2H3,(H,21,22)/p-1
InChIKeyWGIPFPVIJZUIFT-UHFFFAOYSA-M
MW355.21 g/mol
LogP3.64
Rot. Bonds2

About 6-bromo-2-(2,4-dimethylphenyl)quinoline-4-carboxylate

6-bromo-2-(2,4-dimethylphenyl)quinoline-4-carboxylate (PubChem CID 4747845) has the molecular formula C18H13BrNO2- and a molecular weight of 355.21 g/mol. Its IUPAC name is 6-bromo-2-(2,4-dimethylphenyl)quinoline-4-carboxylate.

Molecular Properties

Compound Name6-bromo-2-(2,4-dimethylphenyl)quinoline-4-carboxylate
PubChem CID4747845
Molecular FormulaC18H13BrNO2-
Molecular Weight355.21 g/mol
Exact Mass354.01
IUPAC Name6-bromo-2-(2,4-dimethylphenyl)quinoline-4-carboxylate
SMILESCc1ccc(-c2cc(C(=O)[O-])c3cc(Br)ccc3n2)c(C)c1
InChIInChI=1S/C18H14BrNO2/c1-10-3-5-13(11(2)7-10)17-9-15(18(21)22)14-8-12(19)4-6-16(14)20-17/h3-9H,1-2H3,(H,21,22)/p-1
InChIKeyWGIPFPVIJZUIFT-UHFFFAOYSA-M
XLogP3.64
TPSA53.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.21
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-bromo-2-(2-methylphenyl)quinoline-4-carboxylic acid
CID 3972726
6-bromo-2-phenylquinoline-4-carboxylate
CID 6974957
6-bromo-2-(1,2-dihydroacenaphthylen-5-yl)quinoline-4-carboxylate
CID 1223590
6-tert-butyl-2-(2,4-dimethylphenyl)quinoline-4-carboxylic acid
CID 3921537
potassium 6-bromo-2-(5-bromothiophen-2-yl)quinoline-4-carboxylate
CID 23711748
6-bromo-2-(4-methylsulfanylphenyl)quinoline-4-carboxylate
CID 6959218
potassium 2-(5-bromothiophen-2-yl)-6-methylquinoline-4-carboxylate
CID 23688649
6-bromo-2-(3-methoxyphenyl)quinoline-4-carboxylate
CID 5103273
2-[5-(3-bromophenyl)furan-2-yl]-6-methylquinoline-4-carboxylate
CID 4093975
6-bromo-2-(2-bromophenyl)quinoline-4-carboxylic acid
CID 994225
5-bromo-2-(2,4-dimethylphenyl)benzoic acid
CID 114032341
2-(4-bromophenyl)-6-fluoroquinoline-4-carboxylate
CID 4512118

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(2,4-dimethylphenyl)quinoline-4-carboxylate?
The IUPAC name of 6-bromo-2-(2,4-dimethylphenyl)quinoline-4-carboxylate (CID 4747845) is 6-bromo-2-(2,4-dimethylphenyl)quinoline-4-carboxylate.
What is the SMILES notation for 6-bromo-2-(2,4-dimethylphenyl)quinoline-4-carboxylate?
The canonical SMILES for 6-bromo-2-(2,4-dimethylphenyl)quinoline-4-carboxylate is Cc1ccc(-c2cc(C(=O)[O-])c3cc(Br)ccc3n2)c(C)c1.
What is the InChIKey of 6-bromo-2-(2,4-dimethylphenyl)quinoline-4-carboxylate?
The InChIKey is WGIPFPVIJZUIFT-UHFFFAOYSA-M. The full InChI is InChI=1S/C18H14BrNO2/c1-10-3-5-13(11(2)7-10)17-9-15(18(21)22)14-8-12(19)4-6-16(14)20-17/h3-9H,1-2H3,(H,21,22)/p-1.
What are the key properties of 6-bromo-2-(2,4-dimethylphenyl)quinoline-4-carboxylate?
6-bromo-2-(2,4-dimethylphenyl)quinoline-4-carboxylate has a molecular weight of 355.21 g/mol, XLogP of 3.64, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(2,4-dimethylphenyl)quinoline-4-carboxylate is sourced from PubChem (CID 4747845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).