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

C27H25BrN2O2 — CID 19648097

IUPACN-(4-bromo-2-methylphenyl)-2-(4-methoxyphenyl)-3,6,8-trimethylquinoline-4-carboxamide
SMILESCOc1ccc(-c2nc3c(C)cc(C)cc3c(C(=O)Nc3ccc(Br)cc3C)c2C)cc1
InChIInChI=1S/C27H25BrN2O2/c1-15-12-17(3)25-22(13-15)24(27(31)29-23-11-8-20(28)14-16(23)2)18(4)26(30-25)19-6-9-21(32-5)10-7-19/h6-14H,1-5H3,(H,29,31)
InChIKeySTKIVMXFWQXOEX-UHFFFAOYSA-N
MW489.41 g/mol
LogP7.16
Rot. Bonds4

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

N-(4-bromo-2-methylphenyl)-2-(4-methoxyphenyl)-3,6,8-trimethylquinoline-4-carboxamide (PubChem CID 19648097) has the molecular formula C27H25BrN2O2 and a molecular weight of 489.41 g/mol. Its IUPAC name is N-(4-bromo-2-methylphenyl)-2-(4-methoxyphenyl)-3,6,8-trimethylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-2-methylphenyl)-2-(4-methoxyphenyl)-3,6,8-trimethylquinoline-4-carboxamide
PubChem CID19648097
Molecular FormulaC27H25BrN2O2
Molecular Weight489.41 g/mol
Exact Mass488.11
IUPAC NameN-(4-bromo-2-methylphenyl)-2-(4-methoxyphenyl)-3,6,8-trimethylquinoline-4-carboxamide
SMILESCOc1ccc(-c2nc3c(C)cc(C)cc3c(C(=O)Nc3ccc(Br)cc3C)c2C)cc1
InChIInChI=1S/C27H25BrN2O2/c1-15-12-17(3)25-22(13-15)24(27(31)29-23-11-8-20(28)14-16(23)2)18(4)26(30-25)19-6-9-21(32-5)10-7-19/h6-14H,1-5H3,(H,29,31)
InChIKeySTKIVMXFWQXOEX-UHFFFAOYSA-N
XLogP7.16
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.41
LogP ≤ 57.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromophenyl)-2-(4-methoxyphenyl)-3,6,8-trimethylquinoline-4-carboxamide
CID 19648072
N-(3,5-dimethylphenyl)-2-(4-methoxyphenyl)-3,6,8-trimethylquinoline-4-carboxamide
CID 19648086
2-(4-chlorophenyl)-N-(2,4-dimethylphenyl)-3,6,8-trimethylquinoline-4-carboxamide
CID 17261456
N-(4-bromo-2-ethylphenyl)-2-(4-chlorophenyl)-3,6,8-trimethylquinoline-4-carboxamide
CID 19647961
N-(3,4-dichlorophenyl)-2-(4-methoxyphenyl)-3,6,8-trimethylquinoline-4-carboxamide
CID 19648060
N-(2,4-dichlorophenyl)-3,6,8-trimethyl-2-(4-methylphenyl)quinoline-4-carboxamide
CID 19647837
N-(2,4-dimethylphenyl)-2-(4-methoxyphenyl)-6,8-dimethylquinoline-4-carboxamide
CID 19647611
N-(4-bromo-2-fluorophenyl)-2-(4-methoxyphenyl)-3-methylquinoline-4-carboxamide
CID 4617189
N-(3,5-dimethylphenyl)-3,6,8-trimethyl-2-phenylquinoline-4-carboxamide
CID 19647901
N-(2,5-dimethylphenyl)-3,6,8-trimethyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxamide
CID 19648018
N-(4-bromo-2,3-dimethylphenyl)-2-(4-methoxyphenyl)-6,8-dimethylquinoline-4-carboxamide
CID 19647635
N-(4-bromo-2-methylphenyl)-2-(4-fluorophenyl)-6,8-dimethylquinoline-4-carboxamide
CID 17258584

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-methylphenyl)-2-(4-methoxyphenyl)-3,6,8-trimethylquinoline-4-carboxamide?
The IUPAC name of N-(4-bromo-2-methylphenyl)-2-(4-methoxyphenyl)-3,6,8-trimethylquinoline-4-carboxamide (CID 19648097) is N-(4-bromo-2-methylphenyl)-2-(4-methoxyphenyl)-3,6,8-trimethylquinoline-4-carboxamide.
What is the SMILES notation for N-(4-bromo-2-methylphenyl)-2-(4-methoxyphenyl)-3,6,8-trimethylquinoline-4-carboxamide?
The canonical SMILES for N-(4-bromo-2-methylphenyl)-2-(4-methoxyphenyl)-3,6,8-trimethylquinoline-4-carboxamide is COc1ccc(-c2nc3c(C)cc(C)cc3c(C(=O)Nc3ccc(Br)cc3C)c2C)cc1.
What is the InChIKey of N-(4-bromo-2-methylphenyl)-2-(4-methoxyphenyl)-3,6,8-trimethylquinoline-4-carboxamide?
The InChIKey is STKIVMXFWQXOEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25BrN2O2/c1-15-12-17(3)25-22(13-15)24(27(31)29-23-11-8-20(28)14-16(23)2)18(4)26(30-25)19-6-9-21(32-5)10-7-19/h6-14H,1-5H3,(H,29,31).
What are the key properties of N-(4-bromo-2-methylphenyl)-2-(4-methoxyphenyl)-3,6,8-trimethylquinoline-4-carboxamide?
N-(4-bromo-2-methylphenyl)-2-(4-methoxyphenyl)-3,6,8-trimethylquinoline-4-carboxamide has a molecular weight of 489.41 g/mol, XLogP of 7.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-methylphenyl)-2-(4-methoxyphenyl)-3,6,8-trimethylquinoline-4-carboxamide is sourced from PubChem (CID 19648097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).