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

C22H21N3O3 — CID 36674945

IUPAC6-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-(2-phenoxyethyl)pyridazin-3-one
SMILESO=C(c1ccc(=O)n(CCOc2ccccc2)n1)N1CCc2ccccc2C1
InChIInChI=1S/C22H21N3O3/c26-21-11-10-20(23-25(21)14-15-28-19-8-2-1-3-9-19)22(27)24-13-12-17-6-4-5-7-18(17)16-24/h1-11H,12-16H2
InChIKeyWRANVSAXYBDKML-UHFFFAOYSA-N
MW375.43 g/mol
LogP2.52
Rot. Bonds5

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

6-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-(2-phenoxyethyl)pyridazin-3-one (PubChem CID 36674945) has the molecular formula C22H21N3O3 and a molecular weight of 375.43 g/mol. Its IUPAC name is 6-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-(2-phenoxyethyl)pyridazin-3-one.

Molecular Properties

Compound Name6-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-(2-phenoxyethyl)pyridazin-3-one
PubChem CID36674945
Molecular FormulaC22H21N3O3
Molecular Weight375.43 g/mol
Exact Mass375.16
IUPAC Name6-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-(2-phenoxyethyl)pyridazin-3-one
SMILESO=C(c1ccc(=O)n(CCOc2ccccc2)n1)N1CCc2ccccc2C1
InChIInChI=1S/C22H21N3O3/c26-21-11-10-20(23-25(21)14-15-28-19-8-2-1-3-9-19)22(27)24-13-12-17-6-4-5-7-18(17)16-24/h1-11H,12-16H2
InChIKeyWRANVSAXYBDKML-UHFFFAOYSA-N
XLogP2.52
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] 6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxylate
CID 32614789
6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxylic acid
CID 7131845
6-[4-(2-fluorobenzoyl)piperazine-1-carbonyl]-2-(2-phenoxyethyl)pyridazin-3-one
CID 33466549
6-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-methylpyridazin-3-one
CID 42443203
6-[4-(2-methyl-2-phenylpropanoyl)piperazine-1-carbonyl]-2-(2-phenoxyethyl)pyridazin-3-one
CID 36562735
6-[4-(3-methoxybenzoyl)piperazine-1-carbonyl]-2-(2-phenoxyethyl)pyridazin-3-one
CID 38047108
6-[4-[hydroxy(phenyl)methyl]piperidine-1-carbonyl]-2-(2-phenoxyethyl)pyridazin-3-one
CID 51112139
2-(2-phenoxyethyl)-6-[4-(1-phenyltetrazol-5-yl)piperazine-1-carbonyl]pyridazin-3-one
CID 43062887
2-benzyl-6-(6-methoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)pyridazin-3-one
CID 121067048
N-(2-methoxyethyl)-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 35811130
6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-propylpyridazin-3-one
CID 38209008
N-[1-(furan-3-carbonyl)piperidin-4-yl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 38213819

Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-(2-phenoxyethyl)pyridazin-3-one?
The IUPAC name of 6-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-(2-phenoxyethyl)pyridazin-3-one (CID 36674945) is 6-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-(2-phenoxyethyl)pyridazin-3-one.
What is the SMILES notation for 6-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-(2-phenoxyethyl)pyridazin-3-one?
The canonical SMILES for 6-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-(2-phenoxyethyl)pyridazin-3-one is O=C(c1ccc(=O)n(CCOc2ccccc2)n1)N1CCc2ccccc2C1.
What is the InChIKey of 6-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-(2-phenoxyethyl)pyridazin-3-one?
The InChIKey is WRANVSAXYBDKML-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O3/c26-21-11-10-20(23-25(21)14-15-28-19-8-2-1-3-9-19)22(27)24-13-12-17-6-4-5-7-18(17)16-24/h1-11H,12-16H2.
What are the key properties of 6-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-(2-phenoxyethyl)pyridazin-3-one?
6-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-(2-phenoxyethyl)pyridazin-3-one has a molecular weight of 375.43 g/mol, XLogP of 2.52, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-(2-phenoxyethyl)pyridazin-3-one is sourced from PubChem (CID 36674945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).