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

C24H32N2O3 — CID 11509486

IUPAC4-[3-[[4-(4-methoxyphenyl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]oxy]propyl]morpholine
SMILESCOc1ccc(C2CN(C)Cc3cc(OCCCN4CCOCC4)ccc32)cc1
InChIInChI=1S/C24H32N2O3/c1-25-17-20-16-22(29-13-3-10-26-11-14-28-15-12-26)8-9-23(20)24(18-25)19-4-6-21(27-2)7-5-19/h4-9,16,24H,3,10-15,17-18H2,1-2H3
InChIKeyHVNNDZMWORMJPO-UHFFFAOYSA-N
MW396.53 g/mol
LogP3.37
Rot. Bonds7

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

4-[3-[[4-(4-methoxyphenyl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]oxy]propyl]morpholine (PubChem CID 11509486) has the molecular formula C24H32N2O3 and a molecular weight of 396.53 g/mol. Its IUPAC name is 4-[3-[[4-(4-methoxyphenyl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]oxy]propyl]morpholine.

Molecular Properties

Compound Name4-[3-[[4-(4-methoxyphenyl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]oxy]propyl]morpholine
PubChem CID11509486
Molecular FormulaC24H32N2O3
Molecular Weight396.53 g/mol
Exact Mass396.24
IUPAC Name4-[3-[[4-(4-methoxyphenyl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]oxy]propyl]morpholine
SMILESCOc1ccc(C2CN(C)Cc3cc(OCCCN4CCOCC4)ccc32)cc1
InChIInChI=1S/C24H32N2O3/c1-25-17-20-16-22(29-13-3-10-26-11-14-28-15-12-26)8-9-23(20)24(18-25)19-4-6-21(27-2)7-5-19/h4-9,16,24H,3,10-15,17-18H2,1-2H3
InChIKeyHVNNDZMWORMJPO-UHFFFAOYSA-N
XLogP3.37
TPSA34.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.53
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[[4-(4-methoxyphenyl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]oxy]propyl]morpholine?
The IUPAC name of 4-[3-[[4-(4-methoxyphenyl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]oxy]propyl]morpholine (CID 11509486) is 4-[3-[[4-(4-methoxyphenyl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]oxy]propyl]morpholine.
What is the SMILES notation for 4-[3-[[4-(4-methoxyphenyl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]oxy]propyl]morpholine?
The canonical SMILES for 4-[3-[[4-(4-methoxyphenyl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]oxy]propyl]morpholine is COc1ccc(C2CN(C)Cc3cc(OCCCN4CCOCC4)ccc32)cc1.
What is the InChIKey of 4-[3-[[4-(4-methoxyphenyl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]oxy]propyl]morpholine?
The InChIKey is HVNNDZMWORMJPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O3/c1-25-17-20-16-22(29-13-3-10-26-11-14-28-15-12-26)8-9-23(20)24(18-25)19-4-6-21(27-2)7-5-19/h4-9,16,24H,3,10-15,17-18H2,1-2H3.
What are the key properties of 4-[3-[[4-(4-methoxyphenyl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]oxy]propyl]morpholine?
4-[3-[[4-(4-methoxyphenyl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]oxy]propyl]morpholine has a molecular weight of 396.53 g/mol, XLogP of 3.37, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[[4-(4-methoxyphenyl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]oxy]propyl]morpholine is sourced from PubChem (CID 11509486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).