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

C21H22N4 — CID 10782665

IUPACN-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-6-phenylpyridazin-3-amine
SMILESc1ccc(-c2ccc(NCCN3CCc4ccccc4C3)nn2)cc1
InChIInChI=1S/C21H22N4/c1-2-7-18(8-3-1)20-10-11-21(24-23-20)22-13-15-25-14-12-17-6-4-5-9-19(17)16-25/h1-11H,12-16H2,(H,22,24)
InChIKeyJHNROXOROWGOAD-UHFFFAOYSA-N
MW330.44 g/mol
LogP3.61
Rot. Bonds5

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

N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-6-phenylpyridazin-3-amine (PubChem CID 10782665) has the molecular formula C21H22N4 and a molecular weight of 330.44 g/mol. Its IUPAC name is N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-6-phenylpyridazin-3-amine.

Molecular Properties

Compound NameN-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-6-phenylpyridazin-3-amine
PubChem CID10782665
Molecular FormulaC21H22N4
Molecular Weight330.44 g/mol
Exact Mass330.18
IUPAC NameN-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-6-phenylpyridazin-3-amine
SMILESc1ccc(-c2ccc(NCCN3CCc4ccccc4C3)nn2)cc1
InChIInChI=1S/C21H22N4/c1-2-7-18(8-3-1)20-10-11-21(24-23-20)22-13-15-25-14-12-17-6-4-5-9-19(17)16-25/h1-11H,12-16H2,(H,22,24)
InChIKeyJHNROXOROWGOAD-UHFFFAOYSA-N
XLogP3.61
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.44
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-6-phenylpyridazin-3-amine?
The IUPAC name of N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-6-phenylpyridazin-3-amine (CID 10782665) is N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-6-phenylpyridazin-3-amine.
What is the SMILES notation for N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-6-phenylpyridazin-3-amine?
The canonical SMILES for N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-6-phenylpyridazin-3-amine is c1ccc(-c2ccc(NCCN3CCc4ccccc4C3)nn2)cc1.
What is the InChIKey of N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-6-phenylpyridazin-3-amine?
The InChIKey is JHNROXOROWGOAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4/c1-2-7-18(8-3-1)20-10-11-21(24-23-20)22-13-15-25-14-12-17-6-4-5-9-19(17)16-25/h1-11H,12-16H2,(H,22,24).
What are the key properties of N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-6-phenylpyridazin-3-amine?
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-6-phenylpyridazin-3-amine has a molecular weight of 330.44 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-6-phenylpyridazin-3-amine is sourced from PubChem (CID 10782665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).