3,4-dihydro-1H-isoquinolin-2-yl(pyridazin-3-yl)methanone

C14H13N3O — CID 110852369

IUPAC3,4-dihydro-1H-isoquinolin-2-yl(pyridazin-3-yl)methanone
SMILESO=C(c1cccnn1)N1CCc2ccccc2C1
InChIInChI=1S/C14H13N3O/c18-14(13-6-3-8-15-16-13)17-9-7-11-4-1-2-5-12(11)10-17/h1-6,8H,7,9-10H2
InChIKeyHRJCLSIKHNVFFR-UHFFFAOYSA-N
MW239.28 g/mol
LogP1.68
Rot. Bonds1

About 3,4-dihydro-1H-isoquinolin-2-yl(pyridazin-3-yl)methanone

3,4-dihydro-1H-isoquinolin-2-yl(pyridazin-3-yl)methanone (PubChem CID 110852369) has the molecular formula C14H13N3O and a molecular weight of 239.28 g/mol. Its IUPAC name is 3,4-dihydro-1H-isoquinolin-2-yl(pyridazin-3-yl)methanone.

Molecular Properties

Compound Name3,4-dihydro-1H-isoquinolin-2-yl(pyridazin-3-yl)methanone
PubChem CID110852369
Molecular FormulaC14H13N3O
Molecular Weight239.28 g/mol
Exact Mass239.11
IUPAC Name3,4-dihydro-1H-isoquinolin-2-yl(pyridazin-3-yl)methanone
SMILESO=C(c1cccnn1)N1CCc2ccccc2C1
InChIInChI=1S/C14H13N3O/c18-14(13-6-3-8-15-16-13)17-9-7-11-4-1-2-5-12(11)10-17/h1-6,8H,7,9-10H2
InChIKeyHRJCLSIKHNVFFR-UHFFFAOYSA-N
XLogP1.68
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-pyridazin-3-ylmethanone
CID 110855244
[6-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 109096664
3,4-dihydro-1H-isoquinolin-2-yl-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]methanone
CID 109116144
3,4-dihydro-1H-isoquinolin-2-yl-(6-hydrazinyl-2-pyridinyl)methanone
CID 62248838
[6-(tert-butylamino)pyridazin-3-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 109121833
(5-amino-2-pyridinyl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 81319420
3,4-dihydro-1H-isoquinolin-2-yl-(3-fluoro-2-pyridinyl)methanone
CID 110474832
6-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-methylpyridazin-3-one
CID 42443203
3,4-dihydro-1H-isoquinolin-2-yl-(5-methyl-1H-pyrazol-3-yl)methanone
CID 20918269
2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)pyrimidine-4-carboxylic acid
CID 117212978
N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyridazine-3-carboxamide;ethane
CID 159426980
N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyridazine-3-carboxamide;ethane
CID 159426981

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-1H-isoquinolin-2-yl(pyridazin-3-yl)methanone?
The IUPAC name of 3,4-dihydro-1H-isoquinolin-2-yl(pyridazin-3-yl)methanone (CID 110852369) is 3,4-dihydro-1H-isoquinolin-2-yl(pyridazin-3-yl)methanone.
What is the SMILES notation for 3,4-dihydro-1H-isoquinolin-2-yl(pyridazin-3-yl)methanone?
The canonical SMILES for 3,4-dihydro-1H-isoquinolin-2-yl(pyridazin-3-yl)methanone is O=C(c1cccnn1)N1CCc2ccccc2C1.
What is the InChIKey of 3,4-dihydro-1H-isoquinolin-2-yl(pyridazin-3-yl)methanone?
The InChIKey is HRJCLSIKHNVFFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O/c18-14(13-6-3-8-15-16-13)17-9-7-11-4-1-2-5-12(11)10-17/h1-6,8H,7,9-10H2.
What are the key properties of 3,4-dihydro-1H-isoquinolin-2-yl(pyridazin-3-yl)methanone?
3,4-dihydro-1H-isoquinolin-2-yl(pyridazin-3-yl)methanone has a molecular weight of 239.28 g/mol, XLogP of 1.68, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-1H-isoquinolin-2-yl(pyridazin-3-yl)methanone is sourced from PubChem (CID 110852369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).