N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-2-(6-oxo-3-phenyl-4,5-dihydropyridazin-1-yl)acetamide

C23H26N4O2 — CID 12005359

IUPACN-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-2-(6-oxo-3-phenyl-4,5-dihydropyridazin-1-yl)acetamide
SMILESO=C(CN1N=C(c2ccccc2)CCC1=O)NCCN1CCc2ccccc2C1
InChIInChI=1S/C23H26N4O2/c28-22(24-13-15-26-14-12-18-6-4-5-9-20(18)16-26)17-27-23(29)11-10-21(25-27)19-7-2-1-3-8-19/h1-9H,10-17H2,(H,24,28)
InChIKeyHWRLOVJXNQTIQA-UHFFFAOYSA-N
MW390.49 g/mol
LogP2.19
Rot. Bonds6

About N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-2-(6-oxo-3-phenyl-4,5-dihydropyridazin-1-yl)acetamide

N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-2-(6-oxo-3-phenyl-4,5-dihydropyridazin-1-yl)acetamide (PubChem CID 12005359) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-2-(6-oxo-3-phenyl-4,5-dihydropyridazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-2-(6-oxo-3-phenyl-4,5-dihydropyridazin-1-yl)acetamide
PubChem CID12005359
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC NameN-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-2-(6-oxo-3-phenyl-4,5-dihydropyridazin-1-yl)acetamide
SMILESO=C(CN1N=C(c2ccccc2)CCC1=O)NCCN1CCc2ccccc2C1
InChIInChI=1S/C23H26N4O2/c28-22(24-13-15-26-14-12-18-6-4-5-9-20(18)16-26)17-27-23(29)11-10-21(25-27)19-7-2-1-3-8-19/h1-9H,10-17H2,(H,24,28)
InChIKeyHWRLOVJXNQTIQA-UHFFFAOYSA-N
XLogP2.19
TPSA65.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 52.19
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]-2-(6-oxo-3-phenyl-4,5-dihydropyridazin-1-yl)acetamide?
The IUPAC name of N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-2-(6-oxo-3-phenyl-4,5-dihydropyridazin-1-yl)acetamide (CID 12005359) is N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-2-(6-oxo-3-phenyl-4,5-dihydropyridazin-1-yl)acetamide.
What is the SMILES notation for N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-2-(6-oxo-3-phenyl-4,5-dihydropyridazin-1-yl)acetamide?
The canonical SMILES for N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-2-(6-oxo-3-phenyl-4,5-dihydropyridazin-1-yl)acetamide is O=C(CN1N=C(c2ccccc2)CCC1=O)NCCN1CCc2ccccc2C1.
What is the InChIKey of N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-2-(6-oxo-3-phenyl-4,5-dihydropyridazin-1-yl)acetamide?
The InChIKey is HWRLOVJXNQTIQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c28-22(24-13-15-26-14-12-18-6-4-5-9-20(18)16-26)17-27-23(29)11-10-21(25-27)19-7-2-1-3-8-19/h1-9H,10-17H2,(H,24,28).
What are the key properties of N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-2-(6-oxo-3-phenyl-4,5-dihydropyridazin-1-yl)acetamide?
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-2-(6-oxo-3-phenyl-4,5-dihydropyridazin-1-yl)acetamide has a molecular weight of 390.49 g/mol, XLogP of 2.19, 6 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]-2-(6-oxo-3-phenyl-4,5-dihydropyridazin-1-yl)acetamide is sourced from PubChem (CID 12005359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).