N-[(2-chloro-8-methylquinolin-3-yl)methyl]-N'-(2-methoxyethyl)-N'-methylpropane-1,3-diamine;hydrochloride

C18H27Cl2N3O — CID 47060513

IUPACN-[(2-chloro-8-methylquinolin-3-yl)methyl]-N'-(2-methoxyethyl)-N'-methylpropane-1,3-diamine;hydrochloride
SMILESCOCCN(C)CCCNCc1cc2cccc(C)c2nc1Cl.Cl
InChIInChI=1S/C18H26ClN3O.ClH/c1-14-6-4-7-15-12-16(18(19)21-17(14)15)13-20-8-5-9-22(2)10-11-23-3;/h4,6-7,12,20H,5,8-11,13H2,1-3H3;1H
InChIKeyMTEFCYJWDHYMGK-UHFFFAOYSA-N
MW372.34 g/mol
LogP3.68
Rot. Bonds9

About N-[(2-chloro-8-methylquinolin-3-yl)methyl]-N'-(2-methoxyethyl)-N'-methylpropane-1,3-diamine;hydrochloride

N-[(2-chloro-8-methylquinolin-3-yl)methyl]-N'-(2-methoxyethyl)-N'-methylpropane-1,3-diamine;hydrochloride (PubChem CID 47060513) has the molecular formula C18H27Cl2N3O and a molecular weight of 372.34 g/mol. Its IUPAC name is N-[(2-chloro-8-methylquinolin-3-yl)methyl]-N'-(2-methoxyethyl)-N'-methylpropane-1,3-diamine;hydrochloride.

Molecular Properties

Compound NameN-[(2-chloro-8-methylquinolin-3-yl)methyl]-N'-(2-methoxyethyl)-N'-methylpropane-1,3-diamine;hydrochloride
PubChem CID47060513
Molecular FormulaC18H27Cl2N3O
Molecular Weight372.34 g/mol
Exact Mass371.15
IUPAC NameN-[(2-chloro-8-methylquinolin-3-yl)methyl]-N'-(2-methoxyethyl)-N'-methylpropane-1,3-diamine;hydrochloride
SMILESCOCCN(C)CCCNCc1cc2cccc(C)c2nc1Cl.Cl
InChIInChI=1S/C18H26ClN3O.ClH/c1-14-6-4-7-15-12-16(18(19)21-17(14)15)13-20-8-5-9-22(2)10-11-23-3;/h4,6-7,12,20H,5,8-11,13H2,1-3H3;1H
InChIKeyMTEFCYJWDHYMGK-UHFFFAOYSA-N
XLogP3.68
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.34
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[(2-chloro-8-methylquinolin-3-yl)methyl]-N'-(2-methoxyethyl)-N'-methylpropane-1,3-diamine;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 N-[(2-chloro-8-methylquinolin-3-yl)methyl]-N'-(2-methoxyethyl)-N'-methylpropane-1,3-diamine;hydrochloride?
The IUPAC name of N-[(2-chloro-8-methylquinolin-3-yl)methyl]-N'-(2-methoxyethyl)-N'-methylpropane-1,3-diamine;hydrochloride (CID 47060513) is N-[(2-chloro-8-methylquinolin-3-yl)methyl]-N'-(2-methoxyethyl)-N'-methylpropane-1,3-diamine;hydrochloride.
What is the SMILES notation for N-[(2-chloro-8-methylquinolin-3-yl)methyl]-N'-(2-methoxyethyl)-N'-methylpropane-1,3-diamine;hydrochloride?
The canonical SMILES for N-[(2-chloro-8-methylquinolin-3-yl)methyl]-N'-(2-methoxyethyl)-N'-methylpropane-1,3-diamine;hydrochloride is COCCN(C)CCCNCc1cc2cccc(C)c2nc1Cl.Cl.
What is the InChIKey of N-[(2-chloro-8-methylquinolin-3-yl)methyl]-N'-(2-methoxyethyl)-N'-methylpropane-1,3-diamine;hydrochloride?
The InChIKey is MTEFCYJWDHYMGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26ClN3O.ClH/c1-14-6-4-7-15-12-16(18(19)21-17(14)15)13-20-8-5-9-22(2)10-11-23-3;/h4,6-7,12,20H,5,8-11,13H2,1-3H3;1H.
What are the key properties of N-[(2-chloro-8-methylquinolin-3-yl)methyl]-N'-(2-methoxyethyl)-N'-methylpropane-1,3-diamine;hydrochloride?
N-[(2-chloro-8-methylquinolin-3-yl)methyl]-N'-(2-methoxyethyl)-N'-methylpropane-1,3-diamine;hydrochloride has a molecular weight of 372.34 g/mol, XLogP of 3.68, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-8-methylquinolin-3-yl)methyl]-N'-(2-methoxyethyl)-N'-methylpropane-1,3-diamine;hydrochloride is sourced from PubChem (CID 47060513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).