6-bromo-N-(3-methoxyphenyl)-8-methyl-2-(4-methylphenyl)quinoline-4-carboxamide

C25H21BrN2O2 — CID 19646657

IUPAC6-bromo-N-(3-methoxyphenyl)-8-methyl-2-(4-methylphenyl)quinoline-4-carboxamide
SMILESCOc1cccc(NC(=O)c2cc(-c3ccc(C)cc3)nc3c(C)cc(Br)cc23)c1
InChIInChI=1S/C25H21BrN2O2/c1-15-7-9-17(10-8-15)23-14-22(21-12-18(26)11-16(2)24(21)28-23)25(29)27-19-5-4-6-20(13-19)30-3/h4-14H,1-3H3,(H,27,29)
InChIKeyLIHRIATXENWRIB-UHFFFAOYSA-N
MW461.36 g/mol
LogP6.54
Rot. Bonds4

About 6-bromo-N-(3-methoxyphenyl)-8-methyl-2-(4-methylphenyl)quinoline-4-carboxamide

6-bromo-N-(3-methoxyphenyl)-8-methyl-2-(4-methylphenyl)quinoline-4-carboxamide (PubChem CID 19646657) has the molecular formula C25H21BrN2O2 and a molecular weight of 461.36 g/mol. Its IUPAC name is 6-bromo-N-(3-methoxyphenyl)-8-methyl-2-(4-methylphenyl)quinoline-4-carboxamide.

Molecular Properties

Compound Name6-bromo-N-(3-methoxyphenyl)-8-methyl-2-(4-methylphenyl)quinoline-4-carboxamide
PubChem CID19646657
Molecular FormulaC25H21BrN2O2
Molecular Weight461.36 g/mol
Exact Mass460.08
IUPAC Name6-bromo-N-(3-methoxyphenyl)-8-methyl-2-(4-methylphenyl)quinoline-4-carboxamide
SMILESCOc1cccc(NC(=O)c2cc(-c3ccc(C)cc3)nc3c(C)cc(Br)cc23)c1
InChIInChI=1S/C25H21BrN2O2/c1-15-7-9-17(10-8-15)23-14-22(21-12-18(26)11-16(2)24(21)28-23)25(29)27-19-5-4-6-20(13-19)30-3/h4-14H,1-3H3,(H,27,29)
InChIKeyLIHRIATXENWRIB-UHFFFAOYSA-N
XLogP6.54
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.36
LogP ≤ 56.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-bromo-N-(2,6-dimethylphenyl)-8-methyl-2-(4-methylphenyl)quinoline-4-carboxamide
CID 4217087
N-(4-bromo-3-methylphenyl)-2-(3-methoxyphenyl)-6,8-dimethylquinoline-4-carboxamide
CID 19647775
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
6-bromo-2-(4-chlorophenyl)-N-(4-iodophenyl)-8-methylquinoline-4-carboxamide
CID 5092601
N-(3-chloro-4-methylphenyl)-2-(4-methoxyphenyl)-6,8-dimethylquinoline-4-carboxamide
CID 19647615
N-(2,4-dimethylphenyl)-2-(4-methoxyphenyl)-6,8-dimethylquinoline-4-carboxamide
CID 19647611
N-(2,5-dimethoxyphenyl)-6,8-dimethyl-2-(4-methylphenyl)quinoline-4-carboxamide
CID 19647672
N-(4-bromo-2,3-dimethylphenyl)-2-(4-methoxyphenyl)-6,8-dimethylquinoline-4-carboxamide
CID 19647635
6-bromo-N-(4-bromo-2,3-dimethylphenyl)-8-methyl-2-phenylquinoline-4-carboxamide
CID 4595679
ethyl 4-[[2-(3-methoxyphenyl)-6,8-dimethylquinoline-4-carbonyl]amino]benzoate
CID 19647745
5-bromo-N-(3-bromophenyl)-2-methoxy-3-methylbenzamide
CID 3979736

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(3-methoxyphenyl)-8-methyl-2-(4-methylphenyl)quinoline-4-carboxamide?
The IUPAC name of 6-bromo-N-(3-methoxyphenyl)-8-methyl-2-(4-methylphenyl)quinoline-4-carboxamide (CID 19646657) is 6-bromo-N-(3-methoxyphenyl)-8-methyl-2-(4-methylphenyl)quinoline-4-carboxamide.
What is the SMILES notation for 6-bromo-N-(3-methoxyphenyl)-8-methyl-2-(4-methylphenyl)quinoline-4-carboxamide?
The canonical SMILES for 6-bromo-N-(3-methoxyphenyl)-8-methyl-2-(4-methylphenyl)quinoline-4-carboxamide is COc1cccc(NC(=O)c2cc(-c3ccc(C)cc3)nc3c(C)cc(Br)cc23)c1.
What is the InChIKey of 6-bromo-N-(3-methoxyphenyl)-8-methyl-2-(4-methylphenyl)quinoline-4-carboxamide?
The InChIKey is LIHRIATXENWRIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21BrN2O2/c1-15-7-9-17(10-8-15)23-14-22(21-12-18(26)11-16(2)24(21)28-23)25(29)27-19-5-4-6-20(13-19)30-3/h4-14H,1-3H3,(H,27,29).
What are the key properties of 6-bromo-N-(3-methoxyphenyl)-8-methyl-2-(4-methylphenyl)quinoline-4-carboxamide?
6-bromo-N-(3-methoxyphenyl)-8-methyl-2-(4-methylphenyl)quinoline-4-carboxamide has a molecular weight of 461.36 g/mol, XLogP of 6.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(3-methoxyphenyl)-8-methyl-2-(4-methylphenyl)quinoline-4-carboxamide is sourced from PubChem (CID 19646657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).