[6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazin-3-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone

C23H22N4O — CID 109121757

IUPAC[6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazin-3-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESO=C(c1ccc(N2CCc3ccccc3C2)nn1)N1CCCc2ccccc21
InChIInChI=1S/C23H22N4O/c28-23(27-14-5-9-18-7-3-4-10-21(18)27)20-11-12-22(25-24-20)26-15-13-17-6-1-2-8-19(17)16-26/h1-4,6-8,10-12H,5,9,13-16H2
InChIKeyFTPXHTSEVZCXJI-UHFFFAOYSA-N
MW370.46 g/mol
LogP3.63
Rot. Bonds2

About [6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazin-3-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone

[6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazin-3-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone (PubChem CID 109121757) has the molecular formula C23H22N4O and a molecular weight of 370.46 g/mol. Its IUPAC name is [6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazin-3-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone.

Molecular Properties

Compound Name[6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazin-3-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
PubChem CID109121757
Molecular FormulaC23H22N4O
Molecular Weight370.46 g/mol
Exact Mass370.18
IUPAC Name[6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazin-3-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESO=C(c1ccc(N2CCc3ccccc3C2)nn1)N1CCCc2ccccc21
InChIInChI=1S/C23H22N4O/c28-23(27-14-5-9-18-7-3-4-10-21(18)27)20-11-12-22(25-24-20)26-15-13-17-6-1-2-8-19(17)16-26/h1-4,6-8,10-12H,5,9,13-16H2
InChIKeyFTPXHTSEVZCXJI-UHFFFAOYSA-N
XLogP3.63
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazin-3-yl]-(4-methylpiperazin-1-yl)methanone
CID 109116317
2,3-dihydroindol-1-yl-[6-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)pyridazin-3-yl]methanone
CID 50779169
[6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazin-3-yl]-(4-phenylpiperazin-1-yl)methanone
CID 109121734
3,4-dihydro-2H-quinolin-1-yl-(6-propan-2-ylpyridazin-3-yl)methanone
CID 113200410
[6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazin-3-yl]-(4-methylpiperidin-1-yl)methanone
CID 109113344
2,3-dihydroindol-1-yl-[6-[4-(2,4-dimethylphenyl)piperazin-1-yl]pyridazin-3-yl]methanone
CID 50779103
3,4-dihydro-2H-quinolin-1-yl-[6-(ethylamino)pyridazin-3-yl]methanone
CID 62172479
N-cycloheptyl-6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazine-3-carboxamide
CID 109121742
[6-(3,4-dihydro-2H-quinolin-1-yl)pyridazin-3-yl]-pyrrolidin-1-ylmethanone
CID 109111976
3,4-dihydro-2H-quinolin-1-yl-(6-piperidin-1-yl-2-pyridinyl)methanone
CID 84573646
3,4-dihydro-1H-isoquinolin-2-yl-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]methanone
CID 109116144
[6-(azepan-1-yl)-2-pyridinyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 84573748

Frequently Asked Questions

What is the IUPAC name of [6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazin-3-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone?
The IUPAC name of [6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazin-3-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone (CID 109121757) is [6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazin-3-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone.
What is the SMILES notation for [6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazin-3-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone?
The canonical SMILES for [6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazin-3-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone is O=C(c1ccc(N2CCc3ccccc3C2)nn1)N1CCCc2ccccc21.
What is the InChIKey of [6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazin-3-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone?
The InChIKey is FTPXHTSEVZCXJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O/c28-23(27-14-5-9-18-7-3-4-10-21(18)27)20-11-12-22(25-24-20)26-15-13-17-6-1-2-8-19(17)16-26/h1-4,6-8,10-12H,5,9,13-16H2.
What are the key properties of [6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazin-3-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone?
[6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazin-3-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone has a molecular weight of 370.46 g/mol, XLogP of 3.63, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazin-3-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone is sourced from PubChem (CID 109121757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).