N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-6-phenylpyridazin-3-amine

C23H26N4 — CID 10089805

IUPACN-[4-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-6-phenylpyridazin-3-amine
SMILESc1ccc(-c2ccc(NCCCCN3CCc4ccccc4C3)nn2)cc1
InChIInChI=1S/C23H26N4/c1-2-9-20(10-3-1)22-12-13-23(26-25-22)24-15-6-7-16-27-17-14-19-8-4-5-11-21(19)18-27/h1-5,8-13H,6-7,14-18H2,(H,24,26)
InChIKeyVQRWUURJJTWFRW-UHFFFAOYSA-N
MW358.49 g/mol
LogP4.39
Rot. Bonds7

About N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-6-phenylpyridazin-3-amine

N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-6-phenylpyridazin-3-amine (PubChem CID 10089805) has the molecular formula C23H26N4 and a molecular weight of 358.49 g/mol. Its IUPAC name is N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-6-phenylpyridazin-3-amine.

Molecular Properties

Compound NameN-[4-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-6-phenylpyridazin-3-amine
PubChem CID10089805
Molecular FormulaC23H26N4
Molecular Weight358.49 g/mol
Exact Mass358.22
IUPAC NameN-[4-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-6-phenylpyridazin-3-amine
SMILESc1ccc(-c2ccc(NCCCCN3CCc4ccccc4C3)nn2)cc1
InChIInChI=1S/C23H26N4/c1-2-9-20(10-3-1)22-12-13-23(26-25-22)24-15-6-7-16-27-17-14-19-8-4-5-11-21(19)18-27/h1-5,8-13H,6-7,14-18H2,(H,24,26)
InChIKeyVQRWUURJJTWFRW-UHFFFAOYSA-N
XLogP4.39
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-6-phenylpyridazin-3-amine 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-[4-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-6-phenylpyridazin-3-amine?
The IUPAC name of N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-6-phenylpyridazin-3-amine (CID 10089805) is N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-6-phenylpyridazin-3-amine.
What is the SMILES notation for N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-6-phenylpyridazin-3-amine?
The canonical SMILES for N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-6-phenylpyridazin-3-amine is c1ccc(-c2ccc(NCCCCN3CCc4ccccc4C3)nn2)cc1.
What is the InChIKey of N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-6-phenylpyridazin-3-amine?
The InChIKey is VQRWUURJJTWFRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4/c1-2-9-20(10-3-1)22-12-13-23(26-25-22)24-15-6-7-16-27-17-14-19-8-4-5-11-21(19)18-27/h1-5,8-13H,6-7,14-18H2,(H,24,26).
What are the key properties of N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-6-phenylpyridazin-3-amine?
N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-6-phenylpyridazin-3-amine has a molecular weight of 358.49 g/mol, XLogP of 4.39, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-6-phenylpyridazin-3-amine is sourced from PubChem (CID 10089805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).