4-[3-[[4-(3,4-dichlorophenyl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]oxy]propyl]morpholine

C23H28Cl2N2O2 — CID 11561136

IUPAC4-[3-[[4-(3,4-dichlorophenyl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]oxy]propyl]morpholine
SMILESCN1Cc2cc(OCCCN3CCOCC3)ccc2C(c2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C23H28Cl2N2O2/c1-26-15-18-13-19(29-10-2-7-27-8-11-28-12-9-27)4-5-20(18)21(16-26)17-3-6-22(24)23(25)14-17/h3-6,13-14,21H,2,7-12,15-16H2,1H3
InChIKeyCDSJKEWHYRZXDI-UHFFFAOYSA-N
MW435.40 g/mol
LogP4.67
Rot. Bonds6

About 4-[3-[[4-(3,4-dichlorophenyl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]oxy]propyl]morpholine

4-[3-[[4-(3,4-dichlorophenyl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]oxy]propyl]morpholine (PubChem CID 11561136) has the molecular formula C23H28Cl2N2O2 and a molecular weight of 435.40 g/mol. Its IUPAC name is 4-[3-[[4-(3,4-dichlorophenyl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]oxy]propyl]morpholine.

Molecular Properties

Compound Name4-[3-[[4-(3,4-dichlorophenyl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]oxy]propyl]morpholine
PubChem CID11561136
Molecular FormulaC23H28Cl2N2O2
Molecular Weight435.40 g/mol
Exact Mass434.15
IUPAC Name4-[3-[[4-(3,4-dichlorophenyl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]oxy]propyl]morpholine
SMILESCN1Cc2cc(OCCCN3CCOCC3)ccc2C(c2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C23H28Cl2N2O2/c1-26-15-18-13-19(29-10-2-7-27-8-11-28-12-9-27)4-5-20(18)21(16-26)17-3-6-22(24)23(25)14-17/h3-6,13-14,21H,2,7-12,15-16H2,1H3
InChIKeyCDSJKEWHYRZXDI-UHFFFAOYSA-N
XLogP4.67
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.40
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-[3-[[4-(3,4-dichlorophenyl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]oxy]propyl]morpholine 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 4-[3-[[4-(3,4-dichlorophenyl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]oxy]propyl]morpholine?
The IUPAC name of 4-[3-[[4-(3,4-dichlorophenyl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]oxy]propyl]morpholine (CID 11561136) is 4-[3-[[4-(3,4-dichlorophenyl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]oxy]propyl]morpholine.
What is the SMILES notation for 4-[3-[[4-(3,4-dichlorophenyl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]oxy]propyl]morpholine?
The canonical SMILES for 4-[3-[[4-(3,4-dichlorophenyl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]oxy]propyl]morpholine is CN1Cc2cc(OCCCN3CCOCC3)ccc2C(c2ccc(Cl)c(Cl)c2)C1.
What is the InChIKey of 4-[3-[[4-(3,4-dichlorophenyl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]oxy]propyl]morpholine?
The InChIKey is CDSJKEWHYRZXDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28Cl2N2O2/c1-26-15-18-13-19(29-10-2-7-27-8-11-28-12-9-27)4-5-20(18)21(16-26)17-3-6-22(24)23(25)14-17/h3-6,13-14,21H,2,7-12,15-16H2,1H3.
What are the key properties of 4-[3-[[4-(3,4-dichlorophenyl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]oxy]propyl]morpholine?
4-[3-[[4-(3,4-dichlorophenyl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]oxy]propyl]morpholine has a molecular weight of 435.40 g/mol, XLogP of 4.67, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[[4-(3,4-dichlorophenyl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]oxy]propyl]morpholine is sourced from PubChem (CID 11561136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).