6-bromo-N-(2,6-dimethylphenyl)-8-methyl-2-(4-methylphenyl)quinoline-4-carboxamide

C26H23BrN2O — CID 4217087

IUPAC6-bromo-N-(2,6-dimethylphenyl)-8-methyl-2-(4-methylphenyl)quinoline-4-carboxamide
SMILESCc1ccc(-c2cc(C(=O)Nc3c(C)cccc3C)c3cc(Br)cc(C)c3n2)cc1
InChIInChI=1S/C26H23BrN2O/c1-15-8-10-19(11-9-15)23-14-22(21-13-20(27)12-18(4)25(21)28-23)26(30)29-24-16(2)6-5-7-17(24)3/h5-14H,1-4H3,(H,29,30)
InChIKeyIFLQLUQDKNNVSZ-UHFFFAOYSA-N
MW459.39 g/mol
LogP7.15
Rot. Bonds3

About 6-bromo-N-(2,6-dimethylphenyl)-8-methyl-2-(4-methylphenyl)quinoline-4-carboxamide

6-bromo-N-(2,6-dimethylphenyl)-8-methyl-2-(4-methylphenyl)quinoline-4-carboxamide (PubChem CID 4217087) has the molecular formula C26H23BrN2O and a molecular weight of 459.39 g/mol. Its IUPAC name is 6-bromo-N-(2,6-dimethylphenyl)-8-methyl-2-(4-methylphenyl)quinoline-4-carboxamide.

Molecular Properties

Compound Name6-bromo-N-(2,6-dimethylphenyl)-8-methyl-2-(4-methylphenyl)quinoline-4-carboxamide
PubChem CID4217087
Molecular FormulaC26H23BrN2O
Molecular Weight459.39 g/mol
Exact Mass458.10
IUPAC Name6-bromo-N-(2,6-dimethylphenyl)-8-methyl-2-(4-methylphenyl)quinoline-4-carboxamide
SMILESCc1ccc(-c2cc(C(=O)Nc3c(C)cccc3C)c3cc(Br)cc(C)c3n2)cc1
InChIInChI=1S/C26H23BrN2O/c1-15-8-10-19(11-9-15)23-14-22(21-13-20(27)12-18(4)25(21)28-23)26(30)29-24-16(2)6-5-7-17(24)3/h5-14H,1-4H3,(H,29,30)
InChIKeyIFLQLUQDKNNVSZ-UHFFFAOYSA-N
XLogP7.15
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.39
LogP ≤ 57.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,6-dimethylphenyl)-6,8-dimethyl-2-phenylquinoline-4-carboxamide
CID 19647461
6-bromo-N-(3-methoxyphenyl)-8-methyl-2-(4-methylphenyl)quinoline-4-carboxamide
CID 19646657
6-bromo-N-(4-bromo-2,3-dimethylphenyl)-8-methyl-2-phenylquinoline-4-carboxamide
CID 4595679
6-bromo-2-(4-chlorophenyl)-N-(4-iodophenyl)-8-methylquinoline-4-carboxamide
CID 5092601
6-bromo-N-(5-chloro-2-methoxyphenyl)-8-methyl-2-(4-methylphenyl)quinoline-4-carboxamide
CID 19646659
N-(3,5-dimethylphenyl)-6,8-dimethyl-2-(4-methylphenyl)quinoline-4-carboxamide
CID 17260240
N-(4-bromo-2-methylphenyl)-2-(4-fluorophenyl)-6,8-dimethylquinoline-4-carboxamide
CID 17258584
N-(4-bromo-2-ethylphenyl)-2-(4-bromophenyl)-6,8-dimethylquinoline-4-carboxamide
CID 17258303
6-bromo-8-methyl-2-pyridin-3-ylquinoline-4-carboxylic acid
CID 60984137
N-(2,4-dimethylphenyl)-2-(4-methoxyphenyl)-6,8-dimethylquinoline-4-carboxamide
CID 19647611
N-(3-chloro-2-methylphenyl)-2-(4-chlorophenyl)-6,8-dimethylquinoline-4-carboxamide
CID 5026122
methyl 2-(4-bromophenyl)-6,8-dimethylquinoline-4-carboxylate
CID 19648155

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(2,6-dimethylphenyl)-8-methyl-2-(4-methylphenyl)quinoline-4-carboxamide?
The IUPAC name of 6-bromo-N-(2,6-dimethylphenyl)-8-methyl-2-(4-methylphenyl)quinoline-4-carboxamide (CID 4217087) is 6-bromo-N-(2,6-dimethylphenyl)-8-methyl-2-(4-methylphenyl)quinoline-4-carboxamide.
What is the SMILES notation for 6-bromo-N-(2,6-dimethylphenyl)-8-methyl-2-(4-methylphenyl)quinoline-4-carboxamide?
The canonical SMILES for 6-bromo-N-(2,6-dimethylphenyl)-8-methyl-2-(4-methylphenyl)quinoline-4-carboxamide is Cc1ccc(-c2cc(C(=O)Nc3c(C)cccc3C)c3cc(Br)cc(C)c3n2)cc1.
What is the InChIKey of 6-bromo-N-(2,6-dimethylphenyl)-8-methyl-2-(4-methylphenyl)quinoline-4-carboxamide?
The InChIKey is IFLQLUQDKNNVSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23BrN2O/c1-15-8-10-19(11-9-15)23-14-22(21-13-20(27)12-18(4)25(21)28-23)26(30)29-24-16(2)6-5-7-17(24)3/h5-14H,1-4H3,(H,29,30).
What are the key properties of 6-bromo-N-(2,6-dimethylphenyl)-8-methyl-2-(4-methylphenyl)quinoline-4-carboxamide?
6-bromo-N-(2,6-dimethylphenyl)-8-methyl-2-(4-methylphenyl)quinoline-4-carboxamide has a molecular weight of 459.39 g/mol, XLogP of 7.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(2,6-dimethylphenyl)-8-methyl-2-(4-methylphenyl)quinoline-4-carboxamide is sourced from PubChem (CID 4217087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).