7-bromo-N-[(2,6-dimethylphenyl)methyl]quinolin-4-amine;hydrochloride

C18H18BrClN2 — CID 44523613

IUPAC7-bromo-N-[(2,6-dimethylphenyl)methyl]quinolin-4-amine;hydrochloride
SMILESCc1cccc(C)c1CNc1ccnc2cc(Br)ccc12.Cl
InChIInChI=1S/C18H17BrN2.ClH/c1-12-4-3-5-13(2)16(12)11-21-17-8-9-20-18-10-14(19)6-7-15(17)18;/h3-10H,11H2,1-2H3,(H,20,21);1H
InChIKeyRKTRDLYSUJZQKU-UHFFFAOYSA-N
MW377.71 g/mol
LogP5.65
Rot. Bonds3

About 7-bromo-N-[(2,6-dimethylphenyl)methyl]quinolin-4-amine;hydrochloride

7-bromo-N-[(2,6-dimethylphenyl)methyl]quinolin-4-amine;hydrochloride (PubChem CID 44523613) has the molecular formula C18H18BrClN2 and a molecular weight of 377.71 g/mol. Its IUPAC name is 7-bromo-N-[(2,6-dimethylphenyl)methyl]quinolin-4-amine;hydrochloride.

Molecular Properties

Compound Name7-bromo-N-[(2,6-dimethylphenyl)methyl]quinolin-4-amine;hydrochloride
PubChem CID44523613
Molecular FormulaC18H18BrClN2
Molecular Weight377.71 g/mol
Exact Mass376.03
IUPAC Name7-bromo-N-[(2,6-dimethylphenyl)methyl]quinolin-4-amine;hydrochloride
SMILESCc1cccc(C)c1CNc1ccnc2cc(Br)ccc12.Cl
InChIInChI=1S/C18H17BrN2.ClH/c1-12-4-3-5-13(2)16(12)11-21-17-8-9-20-18-10-14(19)6-7-15(17)18;/h3-10H,11H2,1-2H3,(H,20,21);1H
InChIKeyRKTRDLYSUJZQKU-UHFFFAOYSA-N
XLogP5.65
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.71
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 7-bromo-N-[(2,6-dimethylphenyl)methyl]quinolin-4-amine;hydrochloride with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-bromo-N-[(2,6-dimethylphenyl)methyl]quinolin-4-amine;hydrochloride?
The IUPAC name of 7-bromo-N-[(2,6-dimethylphenyl)methyl]quinolin-4-amine;hydrochloride (CID 44523613) is 7-bromo-N-[(2,6-dimethylphenyl)methyl]quinolin-4-amine;hydrochloride.
What is the SMILES notation for 7-bromo-N-[(2,6-dimethylphenyl)methyl]quinolin-4-amine;hydrochloride?
The canonical SMILES for 7-bromo-N-[(2,6-dimethylphenyl)methyl]quinolin-4-amine;hydrochloride is Cc1cccc(C)c1CNc1ccnc2cc(Br)ccc12.Cl.
What is the InChIKey of 7-bromo-N-[(2,6-dimethylphenyl)methyl]quinolin-4-amine;hydrochloride?
The InChIKey is RKTRDLYSUJZQKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrN2.ClH/c1-12-4-3-5-13(2)16(12)11-21-17-8-9-20-18-10-14(19)6-7-15(17)18;/h3-10H,11H2,1-2H3,(H,20,21);1H.
What are the key properties of 7-bromo-N-[(2,6-dimethylphenyl)methyl]quinolin-4-amine;hydrochloride?
7-bromo-N-[(2,6-dimethylphenyl)methyl]quinolin-4-amine;hydrochloride has a molecular weight of 377.71 g/mol, XLogP of 5.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-N-[(2,6-dimethylphenyl)methyl]quinolin-4-amine;hydrochloride is sourced from PubChem (CID 44523613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).