1-[3-[[6-(3,4-dihydro-1H-isoquinoline-2-carbonyl)pyridazin-3-yl]amino]phenyl]ethanone

C22H20N4O2 — CID 109121887

IUPAC1-[3-[[6-(3,4-dihydro-1H-isoquinoline-2-carbonyl)pyridazin-3-yl]amino]phenyl]ethanone
SMILESCC(=O)c1cccc(Nc2ccc(C(=O)N3CCc4ccccc4C3)nn2)c1
InChIInChI=1S/C22H20N4O2/c1-15(27)17-7-4-8-19(13-17)23-21-10-9-20(24-25-21)22(28)26-12-11-16-5-2-3-6-18(16)14-26/h2-10,13H,11-12,14H2,1H3,(H,23,25)
InChIKeyZRZWPJIDHRUCQS-UHFFFAOYSA-N
MW372.43 g/mol
LogP3.62
Rot. Bonds4

About 1-[3-[[6-(3,4-dihydro-1H-isoquinoline-2-carbonyl)pyridazin-3-yl]amino]phenyl]ethanone

1-[3-[[6-(3,4-dihydro-1H-isoquinoline-2-carbonyl)pyridazin-3-yl]amino]phenyl]ethanone (PubChem CID 109121887) has the molecular formula C22H20N4O2 and a molecular weight of 372.43 g/mol. Its IUPAC name is 1-[3-[[6-(3,4-dihydro-1H-isoquinoline-2-carbonyl)pyridazin-3-yl]amino]phenyl]ethanone.

Molecular Properties

Compound Name1-[3-[[6-(3,4-dihydro-1H-isoquinoline-2-carbonyl)pyridazin-3-yl]amino]phenyl]ethanone
PubChem CID109121887
Molecular FormulaC22H20N4O2
Molecular Weight372.43 g/mol
Exact Mass372.16
IUPAC Name1-[3-[[6-(3,4-dihydro-1H-isoquinoline-2-carbonyl)pyridazin-3-yl]amino]phenyl]ethanone
SMILESCC(=O)c1cccc(Nc2ccc(C(=O)N3CCc4ccccc4C3)nn2)c1
InChIInChI=1S/C22H20N4O2/c1-15(27)17-7-4-8-19(13-17)23-21-10-9-20(24-25-21)22(28)26-12-11-16-5-2-3-6-18(16)14-26/h2-10,13H,11-12,14H2,1H3,(H,23,25)
InChIKeyZRZWPJIDHRUCQS-UHFFFAOYSA-N
XLogP3.62
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[3-[[6-(3,4-dihydro-1H-isoquinoline-2-carbonyl)pyridazin-3-yl]amino]phenyl]ethanone with MolForge

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Related Compounds

1-[3-[[6-(4-methylpiperazine-1-carbonyl)pyridazin-3-yl]amino]phenyl]ethanone
CID 109116415
1-[3-[[6-(morpholine-4-carbonyl)pyridazin-3-yl]amino]phenyl]ethanone
CID 109114743
[6-(1,3-benzodioxol-5-ylamino)pyridazin-3-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 109121897
N-(3-acetylphenyl)-4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)benzamide
CID 109047928
[6-(tert-butylamino)pyridazin-3-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 109121833
methyl 3-[[6-(3,4-dihydro-1H-isoquinoline-2-carbonyl)pyrimidin-4-yl]amino]benzoate
CID 109350817
1-[3-[[6-(2-ethylpiperidine-1-carbonyl)pyridazin-3-yl]amino]phenyl]ethanone
CID 109125899
[6-(cycloheptylamino)pyridazin-3-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 109121834
N-[3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]-2-methylpropanamide
CID 889511
6-(3-acetylanilino)-N-(4-acetylphenyl)pyridazine-3-carboxamide
CID 109129785
N-(4-acetamidophenyl)-6-(3-acetylanilino)pyridazine-3-carboxamide
CID 109129787
(5-anilinopyrazin-2-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 109284050

Frequently Asked Questions

What is the IUPAC name of 1-[3-[[6-(3,4-dihydro-1H-isoquinoline-2-carbonyl)pyridazin-3-yl]amino]phenyl]ethanone?
The IUPAC name of 1-[3-[[6-(3,4-dihydro-1H-isoquinoline-2-carbonyl)pyridazin-3-yl]amino]phenyl]ethanone (CID 109121887) is 1-[3-[[6-(3,4-dihydro-1H-isoquinoline-2-carbonyl)pyridazin-3-yl]amino]phenyl]ethanone.
What is the SMILES notation for 1-[3-[[6-(3,4-dihydro-1H-isoquinoline-2-carbonyl)pyridazin-3-yl]amino]phenyl]ethanone?
The canonical SMILES for 1-[3-[[6-(3,4-dihydro-1H-isoquinoline-2-carbonyl)pyridazin-3-yl]amino]phenyl]ethanone is CC(=O)c1cccc(Nc2ccc(C(=O)N3CCc4ccccc4C3)nn2)c1.
What is the InChIKey of 1-[3-[[6-(3,4-dihydro-1H-isoquinoline-2-carbonyl)pyridazin-3-yl]amino]phenyl]ethanone?
The InChIKey is ZRZWPJIDHRUCQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O2/c1-15(27)17-7-4-8-19(13-17)23-21-10-9-20(24-25-21)22(28)26-12-11-16-5-2-3-6-18(16)14-26/h2-10,13H,11-12,14H2,1H3,(H,23,25).
What are the key properties of 1-[3-[[6-(3,4-dihydro-1H-isoquinoline-2-carbonyl)pyridazin-3-yl]amino]phenyl]ethanone?
1-[3-[[6-(3,4-dihydro-1H-isoquinoline-2-carbonyl)pyridazin-3-yl]amino]phenyl]ethanone has a molecular weight of 372.43 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[6-(3,4-dihydro-1H-isoquinoline-2-carbonyl)pyridazin-3-yl]amino]phenyl]ethanone is sourced from PubChem (CID 109121887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).