N-[3-[6-(4-methoxyphenyl)pyridazin-3-yl]propyl]-2-methyl-3,4-dihydro-1H-isoquinolin-7-amine

C24H28N4O — CID 16745233

IUPACN-[3-[6-(4-methoxyphenyl)pyridazin-3-yl]propyl]-2-methyl-3,4-dihydro-1H-isoquinolin-7-amine
SMILESCOc1ccc(-c2ccc(CCCNc3ccc4c(c3)CN(C)CC4)nn2)cc1
InChIInChI=1S/C24H28N4O/c1-28-15-13-18-5-8-22(16-20(18)17-28)25-14-3-4-21-9-12-24(27-26-21)19-6-10-23(29-2)11-7-19/h5-12,16,25H,3-4,13-15,17H2,1-2H3
InChIKeyQDGZHFCFNGHRGJ-UHFFFAOYSA-N
MW388.52 g/mol
LogP4.18
Rot. Bonds7

About N-[3-[6-(4-methoxyphenyl)pyridazin-3-yl]propyl]-2-methyl-3,4-dihydro-1H-isoquinolin-7-amine

N-[3-[6-(4-methoxyphenyl)pyridazin-3-yl]propyl]-2-methyl-3,4-dihydro-1H-isoquinolin-7-amine (PubChem CID 16745233) has the molecular formula C24H28N4O and a molecular weight of 388.52 g/mol. Its IUPAC name is N-[3-[6-(4-methoxyphenyl)pyridazin-3-yl]propyl]-2-methyl-3,4-dihydro-1H-isoquinolin-7-amine.

Molecular Properties

Compound NameN-[3-[6-(4-methoxyphenyl)pyridazin-3-yl]propyl]-2-methyl-3,4-dihydro-1H-isoquinolin-7-amine
PubChem CID16745233
Molecular FormulaC24H28N4O
Molecular Weight388.52 g/mol
Exact Mass388.23
IUPAC NameN-[3-[6-(4-methoxyphenyl)pyridazin-3-yl]propyl]-2-methyl-3,4-dihydro-1H-isoquinolin-7-amine
SMILESCOc1ccc(-c2ccc(CCCNc3ccc4c(c3)CN(C)CC4)nn2)cc1
InChIInChI=1S/C24H28N4O/c1-28-15-13-18-5-8-22(16-20(18)17-28)25-14-3-4-21-9-12-24(27-26-21)19-6-10-23(29-2)11-7-19/h5-12,16,25H,3-4,13-15,17H2,1-2H3
InChIKeyQDGZHFCFNGHRGJ-UHFFFAOYSA-N
XLogP4.18
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.52
LogP ≤ 54.18
H-Bond Donors ≤ 51
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 N-[3-[6-(4-methoxyphenyl)pyridazin-3-yl]propyl]-2-methyl-3,4-dihydro-1H-isoquinolin-7-amine?
The IUPAC name of N-[3-[6-(4-methoxyphenyl)pyridazin-3-yl]propyl]-2-methyl-3,4-dihydro-1H-isoquinolin-7-amine (CID 16745233) is N-[3-[6-(4-methoxyphenyl)pyridazin-3-yl]propyl]-2-methyl-3,4-dihydro-1H-isoquinolin-7-amine.
What is the SMILES notation for N-[3-[6-(4-methoxyphenyl)pyridazin-3-yl]propyl]-2-methyl-3,4-dihydro-1H-isoquinolin-7-amine?
The canonical SMILES for N-[3-[6-(4-methoxyphenyl)pyridazin-3-yl]propyl]-2-methyl-3,4-dihydro-1H-isoquinolin-7-amine is COc1ccc(-c2ccc(CCCNc3ccc4c(c3)CN(C)CC4)nn2)cc1.
What is the InChIKey of N-[3-[6-(4-methoxyphenyl)pyridazin-3-yl]propyl]-2-methyl-3,4-dihydro-1H-isoquinolin-7-amine?
The InChIKey is QDGZHFCFNGHRGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O/c1-28-15-13-18-5-8-22(16-20(18)17-28)25-14-3-4-21-9-12-24(27-26-21)19-6-10-23(29-2)11-7-19/h5-12,16,25H,3-4,13-15,17H2,1-2H3.
What are the key properties of N-[3-[6-(4-methoxyphenyl)pyridazin-3-yl]propyl]-2-methyl-3,4-dihydro-1H-isoquinolin-7-amine?
N-[3-[6-(4-methoxyphenyl)pyridazin-3-yl]propyl]-2-methyl-3,4-dihydro-1H-isoquinolin-7-amine has a molecular weight of 388.52 g/mol, XLogP of 4.18, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[6-(4-methoxyphenyl)pyridazin-3-yl]propyl]-2-methyl-3,4-dihydro-1H-isoquinolin-7-amine is sourced from PubChem (CID 16745233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).