N-(4-bromophenyl)-2-(4-methoxyphenyl)-3,6,8-trimethylquinoline-4-carboxamide

C26H23BrN2O2 — CID 19648072

IUPACN-(4-bromophenyl)-2-(4-methoxyphenyl)-3,6,8-trimethylquinoline-4-carboxamide
SMILESCOc1ccc(-c2nc3c(C)cc(C)cc3c(C(=O)Nc3ccc(Br)cc3)c2C)cc1
InChIInChI=1S/C26H23BrN2O2/c1-15-13-16(2)24-22(14-15)23(26(30)28-20-9-7-19(27)8-10-20)17(3)25(29-24)18-5-11-21(31-4)12-6-18/h5-14H,1-4H3,(H,28,30)
InChIKeyHXXYFDKXEXPZLT-UHFFFAOYSA-N
MW475.39 g/mol
LogP6.85
Rot. Bonds4

About N-(4-bromophenyl)-2-(4-methoxyphenyl)-3,6,8-trimethylquinoline-4-carboxamide

N-(4-bromophenyl)-2-(4-methoxyphenyl)-3,6,8-trimethylquinoline-4-carboxamide (PubChem CID 19648072) has the molecular formula C26H23BrN2O2 and a molecular weight of 475.39 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-(4-methoxyphenyl)-3,6,8-trimethylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-(4-methoxyphenyl)-3,6,8-trimethylquinoline-4-carboxamide
PubChem CID19648072
Molecular FormulaC26H23BrN2O2
Molecular Weight475.39 g/mol
Exact Mass474.09
IUPAC NameN-(4-bromophenyl)-2-(4-methoxyphenyl)-3,6,8-trimethylquinoline-4-carboxamide
SMILESCOc1ccc(-c2nc3c(C)cc(C)cc3c(C(=O)Nc3ccc(Br)cc3)c2C)cc1
InChIInChI=1S/C26H23BrN2O2/c1-15-13-16(2)24-22(14-15)23(26(30)28-20-9-7-19(27)8-10-20)17(3)25(29-24)18-5-11-21(31-4)12-6-18/h5-14H,1-4H3,(H,28,30)
InChIKeyHXXYFDKXEXPZLT-UHFFFAOYSA-N
XLogP6.85
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.39
LogP ≤ 56.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,5-dimethylphenyl)-2-(4-methoxyphenyl)-3,6,8-trimethylquinoline-4-carboxamide
CID 19648086
N-(4-bromo-2-methylphenyl)-2-(4-methoxyphenyl)-3,6,8-trimethylquinoline-4-carboxamide
CID 19648097
N-(3,4-dichlorophenyl)-2-(4-methoxyphenyl)-3,6,8-trimethylquinoline-4-carboxamide
CID 19648060
N-(3,5-dimethylphenyl)-3,6,8-trimethyl-2-phenylquinoline-4-carboxamide
CID 19647901
N-(4-ethoxyphenyl)-3,6,8-trimethyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxamide
CID 19648017
N-(4-chlorophenyl)-3,6,8-trimethyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxamide
CID 19648013
ethyl 4-[[3,6,8-trimethyl-2-(4-phenylmethoxyphenyl)quinoline-4-carbonyl]amino]benzoate
CID 19648011
N-(3-chlorophenyl)-2-(4-chlorophenyl)-3,6,8-trimethylquinoline-4-carboxamide
CID 19647935
N-(4-bromo-2-ethylphenyl)-2-(4-chlorophenyl)-3,6,8-trimethylquinoline-4-carboxamide
CID 19647961
3-(4-bromophenyl)-N-(4-methoxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 50805521
(2,3-dimethylphenyl) 2-(4-methoxyphenyl)-3,6,8-trimethylquinoline-4-carboxylate
CID 19648476
2-(4-chlorophenyl)-N-(2,4-dimethylphenyl)-3,6,8-trimethylquinoline-4-carboxamide
CID 17261456

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-(4-methoxyphenyl)-3,6,8-trimethylquinoline-4-carboxamide?
The IUPAC name of N-(4-bromophenyl)-2-(4-methoxyphenyl)-3,6,8-trimethylquinoline-4-carboxamide (CID 19648072) is N-(4-bromophenyl)-2-(4-methoxyphenyl)-3,6,8-trimethylquinoline-4-carboxamide.
What is the SMILES notation for N-(4-bromophenyl)-2-(4-methoxyphenyl)-3,6,8-trimethylquinoline-4-carboxamide?
The canonical SMILES for N-(4-bromophenyl)-2-(4-methoxyphenyl)-3,6,8-trimethylquinoline-4-carboxamide is COc1ccc(-c2nc3c(C)cc(C)cc3c(C(=O)Nc3ccc(Br)cc3)c2C)cc1.
What is the InChIKey of N-(4-bromophenyl)-2-(4-methoxyphenyl)-3,6,8-trimethylquinoline-4-carboxamide?
The InChIKey is HXXYFDKXEXPZLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23BrN2O2/c1-15-13-16(2)24-22(14-15)23(26(30)28-20-9-7-19(27)8-10-20)17(3)25(29-24)18-5-11-21(31-4)12-6-18/h5-14H,1-4H3,(H,28,30).
What are the key properties of N-(4-bromophenyl)-2-(4-methoxyphenyl)-3,6,8-trimethylquinoline-4-carboxamide?
N-(4-bromophenyl)-2-(4-methoxyphenyl)-3,6,8-trimethylquinoline-4-carboxamide has a molecular weight of 475.39 g/mol, XLogP of 6.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2-(4-methoxyphenyl)-3,6,8-trimethylquinoline-4-carboxamide is sourced from PubChem (CID 19648072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).