2-bromo-5-methoxy-N-(2,6,8-trimethylquinolin-4-yl)benzamide

C20H19BrN2O2 — CID 43853828

IUPAC2-bromo-5-methoxy-N-(2,6,8-trimethylquinolin-4-yl)benzamide
SMILESCOc1ccc(Br)c(C(=O)Nc2cc(C)nc3c(C)cc(C)cc23)c1
InChIInChI=1S/C20H19BrN2O2/c1-11-7-12(2)19-16(8-11)18(9-13(3)22-19)23-20(24)15-10-14(25-4)5-6-17(15)21/h5-10H,1-4H3,(H,22,23,24)
InChIKeyYEQGGLJOQOEZCN-UHFFFAOYSA-N
MW399.29 g/mol
LogP5.18
Rot. Bonds3

About 2-bromo-5-methoxy-N-(2,6,8-trimethylquinolin-4-yl)benzamide

2-bromo-5-methoxy-N-(2,6,8-trimethylquinolin-4-yl)benzamide (PubChem CID 43853828) has the molecular formula C20H19BrN2O2 and a molecular weight of 399.29 g/mol. Its IUPAC name is 2-bromo-5-methoxy-N-(2,6,8-trimethylquinolin-4-yl)benzamide.

Molecular Properties

Compound Name2-bromo-5-methoxy-N-(2,6,8-trimethylquinolin-4-yl)benzamide
PubChem CID43853828
Molecular FormulaC20H19BrN2O2
Molecular Weight399.29 g/mol
Exact Mass398.06
IUPAC Name2-bromo-5-methoxy-N-(2,6,8-trimethylquinolin-4-yl)benzamide
SMILESCOc1ccc(Br)c(C(=O)Nc2cc(C)nc3c(C)cc(C)cc23)c1
InChIInChI=1S/C20H19BrN2O2/c1-11-7-12(2)19-16(8-11)18(9-13(3)22-19)23-20(24)15-10-14(25-4)5-6-17(15)21/h5-10H,1-4H3,(H,22,23,24)
InChIKeyYEQGGLJOQOEZCN-UHFFFAOYSA-N
XLogP5.18
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.29
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-bromo-5-methoxy-N-(2,6,8-trimethylquinolin-4-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-bromo-2,3-dimethylphenyl)-2-(4-methoxyphenyl)-6,8-dimethylquinoline-4-carboxamide
CID 19647635
2-bromo-N-(6-bromo-2-methyl-3-pyridinyl)-5-methoxybenzamide
CID 103909645
2-bromo-5-methoxy-N-(8-methylquinolin-5-yl)benzamide
CID 38266685
2-bromo-N-(5-bromo-4-fluoro-2-methylphenyl)-5-methoxybenzamide
CID 103274988
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
2-bromo-N-(5-fluoro-2-methylphenyl)-5-methoxybenzamide
CID 2446537
N-(2,4-dimethoxyphenyl)-2,6,8-trimethylquinolin-4-amine;hydrochloride
CID 2790789
2-bromo-N-(3-hydroxy-2-methylphenyl)-5-methoxybenzamide
CID 64793819
2-bromo-5-methoxy-N-[2-(methylaminomethyl)phenyl]benzamide
CID 43600896
N-(4-bromo-3-methylphenyl)-2-(3-methoxyphenyl)-6,8-dimethylquinoline-4-carboxamide
CID 19647775
2-(3,4-dimethoxyphenyl)-N-(2,6,8-trimethylquinolin-4-yl)acetamide
CID 42589559

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-methoxy-N-(2,6,8-trimethylquinolin-4-yl)benzamide?
The IUPAC name of 2-bromo-5-methoxy-N-(2,6,8-trimethylquinolin-4-yl)benzamide (CID 43853828) is 2-bromo-5-methoxy-N-(2,6,8-trimethylquinolin-4-yl)benzamide.
What is the SMILES notation for 2-bromo-5-methoxy-N-(2,6,8-trimethylquinolin-4-yl)benzamide?
The canonical SMILES for 2-bromo-5-methoxy-N-(2,6,8-trimethylquinolin-4-yl)benzamide is COc1ccc(Br)c(C(=O)Nc2cc(C)nc3c(C)cc(C)cc23)c1.
What is the InChIKey of 2-bromo-5-methoxy-N-(2,6,8-trimethylquinolin-4-yl)benzamide?
The InChIKey is YEQGGLJOQOEZCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19BrN2O2/c1-11-7-12(2)19-16(8-11)18(9-13(3)22-19)23-20(24)15-10-14(25-4)5-6-17(15)21/h5-10H,1-4H3,(H,22,23,24).
What are the key properties of 2-bromo-5-methoxy-N-(2,6,8-trimethylquinolin-4-yl)benzamide?
2-bromo-5-methoxy-N-(2,6,8-trimethylquinolin-4-yl)benzamide has a molecular weight of 399.29 g/mol, XLogP of 5.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-methoxy-N-(2,6,8-trimethylquinolin-4-yl)benzamide is sourced from PubChem (CID 43853828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).