6-(2-methyl-7-pyridazin-3-yl-3,4-dihydro-1H-isoquinolin-4-yl)quinoline

C23H20N4 — CID 68994315

IUPAC6-(2-methyl-7-pyridazin-3-yl-3,4-dihydro-1H-isoquinolin-4-yl)quinoline
SMILESCN1Cc2cc(-c3cccnn3)ccc2C(c2ccc3ncccc3c2)C1
InChIInChI=1S/C23H20N4/c1-27-14-19-13-18(23-5-3-11-25-26-23)6-8-20(19)21(15-27)16-7-9-22-17(12-16)4-2-10-24-22/h2-13,21H,14-15H2,1H3
InChIKeyCKXKWQYEIUUWOR-UHFFFAOYSA-N
MW352.44 g/mol
LogP4.27
Rot. Bonds2

About 6-(2-methyl-7-pyridazin-3-yl-3,4-dihydro-1H-isoquinolin-4-yl)quinoline

6-(2-methyl-7-pyridazin-3-yl-3,4-dihydro-1H-isoquinolin-4-yl)quinoline (PubChem CID 68994315) has the molecular formula C23H20N4 and a molecular weight of 352.44 g/mol. Its IUPAC name is 6-(2-methyl-7-pyridazin-3-yl-3,4-dihydro-1H-isoquinolin-4-yl)quinoline.

Molecular Properties

Compound Name6-(2-methyl-7-pyridazin-3-yl-3,4-dihydro-1H-isoquinolin-4-yl)quinoline
PubChem CID68994315
Molecular FormulaC23H20N4
Molecular Weight352.44 g/mol
Exact Mass352.17
IUPAC Name6-(2-methyl-7-pyridazin-3-yl-3,4-dihydro-1H-isoquinolin-4-yl)quinoline
SMILESCN1Cc2cc(-c3cccnn3)ccc2C(c2ccc3ncccc3c2)C1
InChIInChI=1S/C23H20N4/c1-27-14-19-13-18(23-5-3-11-25-26-23)6-8-20(19)21(15-27)16-7-9-22-17(12-16)4-2-10-24-22/h2-13,21H,14-15H2,1H3
InChIKeyCKXKWQYEIUUWOR-UHFFFAOYSA-N
XLogP4.27
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(2-methyl-7-pyridazin-3-yl-3,4-dihydro-1H-isoquinolin-4-yl)quinoline?
The IUPAC name of 6-(2-methyl-7-pyridazin-3-yl-3,4-dihydro-1H-isoquinolin-4-yl)quinoline (CID 68994315) is 6-(2-methyl-7-pyridazin-3-yl-3,4-dihydro-1H-isoquinolin-4-yl)quinoline.
What is the SMILES notation for 6-(2-methyl-7-pyridazin-3-yl-3,4-dihydro-1H-isoquinolin-4-yl)quinoline?
The canonical SMILES for 6-(2-methyl-7-pyridazin-3-yl-3,4-dihydro-1H-isoquinolin-4-yl)quinoline is CN1Cc2cc(-c3cccnn3)ccc2C(c2ccc3ncccc3c2)C1.
What is the InChIKey of 6-(2-methyl-7-pyridazin-3-yl-3,4-dihydro-1H-isoquinolin-4-yl)quinoline?
The InChIKey is CKXKWQYEIUUWOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4/c1-27-14-19-13-18(23-5-3-11-25-26-23)6-8-20(19)21(15-27)16-7-9-22-17(12-16)4-2-10-24-22/h2-13,21H,14-15H2,1H3.
What are the key properties of 6-(2-methyl-7-pyridazin-3-yl-3,4-dihydro-1H-isoquinolin-4-yl)quinoline?
6-(2-methyl-7-pyridazin-3-yl-3,4-dihydro-1H-isoquinolin-4-yl)quinoline has a molecular weight of 352.44 g/mol, XLogP of 4.27, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methyl-7-pyridazin-3-yl-3,4-dihydro-1H-isoquinolin-4-yl)quinoline is sourced from PubChem (CID 68994315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).