6-bromo-N-[2-(2-methoxy-5-methylphenyl)ethyl]-2-methylquinolin-4-amine

C20H21BrN2O — CID 167985804

IUPAC6-bromo-N-[2-(2-methoxy-5-methylphenyl)ethyl]-2-methylquinolin-4-amine
SMILESCOc1ccc(C)cc1CCNc1cc(C)nc2ccc(Br)cc12
InChIInChI=1S/C20H21BrN2O/c1-13-4-7-20(24-3)15(10-13)8-9-22-19-11-14(2)23-18-6-5-16(21)12-17(18)19/h4-7,10-12H,8-9H2,1-3H3,(H,22,23)
InChIKeyOXBTZNOJTREZTQ-UHFFFAOYSA-N
MW385.31 g/mol
LogP5.28
Rot. Bonds5

About 6-bromo-N-[2-(2-methoxy-5-methylphenyl)ethyl]-2-methylquinolin-4-amine

6-bromo-N-[2-(2-methoxy-5-methylphenyl)ethyl]-2-methylquinolin-4-amine (PubChem CID 167985804) has the molecular formula C20H21BrN2O and a molecular weight of 385.31 g/mol. Its IUPAC name is 6-bromo-N-[2-(2-methoxy-5-methylphenyl)ethyl]-2-methylquinolin-4-amine.

Molecular Properties

Compound Name6-bromo-N-[2-(2-methoxy-5-methylphenyl)ethyl]-2-methylquinolin-4-amine
PubChem CID167985804
Molecular FormulaC20H21BrN2O
Molecular Weight385.31 g/mol
Exact Mass384.08
IUPAC Name6-bromo-N-[2-(2-methoxy-5-methylphenyl)ethyl]-2-methylquinolin-4-amine
SMILESCOc1ccc(C)cc1CCNc1cc(C)nc2ccc(Br)cc12
InChIInChI=1S/C20H21BrN2O/c1-13-4-7-20(24-3)15(10-13)8-9-22-19-11-14(2)23-18-6-5-16(21)12-17(18)19/h4-7,10-12H,8-9H2,1-3H3,(H,22,23)
InChIKeyOXBTZNOJTREZTQ-UHFFFAOYSA-N
XLogP5.28
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.31
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-bromo-N-[2-(2-methoxy-5-methylphenyl)ethyl]-2-methylquinolin-4-amine 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-(2,6-dimethylquinolin-4-yl)-N'-(6-methoxy-2-methylquinolin-4-yl)pentane-1,5-diamine
CID 11407724
5-bromo-N-[2-(2-methoxy-5-methylphenyl)ethyl]-3-methylpyridin-2-amine
CID 115148643
N-ethyl-2,6-dimethylquinolin-4-amine
CID 62201642
N-(2,6-dimethylquinolin-4-yl)-N',N'-dimethylethane-1,2-diamine;hydrochloride
CID 126476329
N-[2-(4-chlorophenyl)ethyl]-6-methoxy-2-methylquinolin-4-amine
CID 110432981
6-bromo-N-[(2-methoxyphenyl)methyl]-2-methylquinoline-4-carboxamide
CID 46291475
5-bromo-2-iodo-N-[2-(2-methoxy-5-methylphenyl)ethyl]benzamide
CID 35860687
N-benzyl-2,6-dimethylquinolin-4-amine
CID 719873
7-bromo-4-methoxy-2-methylquinoline
CID 82581190
6-bromo-N-(2-methoxyethyl)-2-methylquinoline-4-carboxamide
CID 46291474
2-[2-(2-methoxy-5-methylphenyl)ethylamino]ethanethiol
CID 115224182
6-chloro-7-methoxy-2-methyl-N-propylquinolin-4-amine
CID 107623108

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[2-(2-methoxy-5-methylphenyl)ethyl]-2-methylquinolin-4-amine?
The IUPAC name of 6-bromo-N-[2-(2-methoxy-5-methylphenyl)ethyl]-2-methylquinolin-4-amine (CID 167985804) is 6-bromo-N-[2-(2-methoxy-5-methylphenyl)ethyl]-2-methylquinolin-4-amine.
What is the SMILES notation for 6-bromo-N-[2-(2-methoxy-5-methylphenyl)ethyl]-2-methylquinolin-4-amine?
The canonical SMILES for 6-bromo-N-[2-(2-methoxy-5-methylphenyl)ethyl]-2-methylquinolin-4-amine is COc1ccc(C)cc1CCNc1cc(C)nc2ccc(Br)cc12.
What is the InChIKey of 6-bromo-N-[2-(2-methoxy-5-methylphenyl)ethyl]-2-methylquinolin-4-amine?
The InChIKey is OXBTZNOJTREZTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21BrN2O/c1-13-4-7-20(24-3)15(10-13)8-9-22-19-11-14(2)23-18-6-5-16(21)12-17(18)19/h4-7,10-12H,8-9H2,1-3H3,(H,22,23).
What are the key properties of 6-bromo-N-[2-(2-methoxy-5-methylphenyl)ethyl]-2-methylquinolin-4-amine?
6-bromo-N-[2-(2-methoxy-5-methylphenyl)ethyl]-2-methylquinolin-4-amine has a molecular weight of 385.31 g/mol, XLogP of 5.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-[2-(2-methoxy-5-methylphenyl)ethyl]-2-methylquinolin-4-amine is sourced from PubChem (CID 167985804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).