2-benzyl-6-(6-methoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)pyridazin-3-one

C22H21N3O3 — CID 121067048

IUPAC2-benzyl-6-(6-methoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)pyridazin-3-one
SMILESCOc1ccc2c(c1)CCN(C(=O)c1ccc(=O)n(Cc3ccccc3)n1)C2
InChIInChI=1S/C22H21N3O3/c1-28-19-8-7-18-15-24(12-11-17(18)13-19)22(27)20-9-10-21(26)25(23-20)14-16-5-3-2-4-6-16/h2-10,13H,11-12,14-15H2,1H3
InChIKeyOQESELFAMBYDKB-UHFFFAOYSA-N
MW375.43 g/mol
LogP2.50
Rot. Bonds4

About 2-benzyl-6-(6-methoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)pyridazin-3-one

2-benzyl-6-(6-methoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)pyridazin-3-one (PubChem CID 121067048) has the molecular formula C22H21N3O3 and a molecular weight of 375.43 g/mol. Its IUPAC name is 2-benzyl-6-(6-methoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)pyridazin-3-one.

Molecular Properties

Compound Name2-benzyl-6-(6-methoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)pyridazin-3-one
PubChem CID121067048
Molecular FormulaC22H21N3O3
Molecular Weight375.43 g/mol
Exact Mass375.16
IUPAC Name2-benzyl-6-(6-methoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)pyridazin-3-one
SMILESCOc1ccc2c(c1)CCN(C(=O)c1ccc(=O)n(Cc3ccccc3)n1)C2
InChIInChI=1S/C22H21N3O3/c1-28-19-8-7-18-15-24(12-11-17(18)13-19)22(27)20-9-10-21(26)25(23-20)14-16-5-3-2-4-6-16/h2-10,13H,11-12,14-15H2,1H3
InChIKeyOQESELFAMBYDKB-UHFFFAOYSA-N
XLogP2.50
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-benzyl-6-(6-methoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)pyridazin-3-one with MolForge

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Related Compounds

1-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-phenylpropan-1-one
CID 15718698
6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-ethylpyridazin-3-one
CID 121066932
6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-propylpyridazin-3-one
CID 38209008
6-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-(2-phenoxyethyl)pyridazin-3-one
CID 36674945
(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(2-methoxyphenyl)methanone
CID 110726074
phenyl 6-methoxy-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 110726098
(3,5-dimethoxyphenyl)-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 110726076
2-benzyl-6-[4-(2,2-dimethylpropanoyl)piperazine-1-carbonyl]pyridazin-3-one
CID 134021721
1-benzyl-N-[(4-methoxyphenyl)methyl]-6-oxopyridazine-3-carboxamide
CID 2635698
2-benzyl-6-(piperazine-1-carbonyl)pyridazin-3-one;hydrochloride
CID 119403547
6-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-methylpyridazin-3-one
CID 42443203
6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 90536711

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-6-(6-methoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)pyridazin-3-one?
The IUPAC name of 2-benzyl-6-(6-methoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)pyridazin-3-one (CID 121067048) is 2-benzyl-6-(6-methoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)pyridazin-3-one.
What is the SMILES notation for 2-benzyl-6-(6-methoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)pyridazin-3-one?
The canonical SMILES for 2-benzyl-6-(6-methoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)pyridazin-3-one is COc1ccc2c(c1)CCN(C(=O)c1ccc(=O)n(Cc3ccccc3)n1)C2.
What is the InChIKey of 2-benzyl-6-(6-methoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)pyridazin-3-one?
The InChIKey is OQESELFAMBYDKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O3/c1-28-19-8-7-18-15-24(12-11-17(18)13-19)22(27)20-9-10-21(26)25(23-20)14-16-5-3-2-4-6-16/h2-10,13H,11-12,14-15H2,1H3.
What are the key properties of 2-benzyl-6-(6-methoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)pyridazin-3-one?
2-benzyl-6-(6-methoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)pyridazin-3-one has a molecular weight of 375.43 g/mol, XLogP of 2.50, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-6-(6-methoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)pyridazin-3-one is sourced from PubChem (CID 121067048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).