6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(oxolan-2-ylmethyl)pyridazine-3-carboxamide

C21H26N4O4 — CID 109115028

IUPAC6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(oxolan-2-ylmethyl)pyridazine-3-carboxamide
SMILESCOc1cc2c(cc1OC)CN(c1ccc(C(=O)NCC3CCCO3)nn1)CC2
InChIInChI=1S/C21H26N4O4/c1-27-18-10-14-7-8-25(13-15(14)11-19(18)28-2)20-6-5-17(23-24-20)21(26)22-12-16-4-3-9-29-16/h5-6,10-11,16H,3-4,7-9,12-13H2,1-2H3,(H,22,26)
InChIKeyDZWZTCPDSVVNCN-UHFFFAOYSA-N
MW398.46 g/mol
LogP1.97
Rot. Bonds6

About 6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(oxolan-2-ylmethyl)pyridazine-3-carboxamide

6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(oxolan-2-ylmethyl)pyridazine-3-carboxamide (PubChem CID 109115028) has the molecular formula C21H26N4O4 and a molecular weight of 398.46 g/mol. Its IUPAC name is 6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(oxolan-2-ylmethyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(oxolan-2-ylmethyl)pyridazine-3-carboxamide
PubChem CID109115028
Molecular FormulaC21H26N4O4
Molecular Weight398.46 g/mol
Exact Mass398.20
IUPAC Name6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(oxolan-2-ylmethyl)pyridazine-3-carboxamide
SMILESCOc1cc2c(cc1OC)CN(c1ccc(C(=O)NCC3CCCO3)nn1)CC2
InChIInChI=1S/C21H26N4O4/c1-27-18-10-14-7-8-25(13-15(14)11-19(18)28-2)20-6-5-17(23-24-20)21(26)22-12-16-4-3-9-29-16/h5-6,10-11,16H,3-4,7-9,12-13H2,1-2H3,(H,22,26)
InChIKeyDZWZTCPDSVVNCN-UHFFFAOYSA-N
XLogP1.97
TPSA85.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109343932
[6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)pyridazin-3-yl]-piperidin-1-ylmethanone
CID 109112689
2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-(oxolan-2-ylmethyl)cyclopropane-1-carboxamide
CID 109133510
5-(3,4-dimethoxyanilino)-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide
CID 109185044
N-[[(2S)-oxolan-2-yl]methyl]-6-pyrazol-1-ylpyridazine-3-carboxamide
CID 95985471
6-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(oxolan-2-ylmethyl)pyridazine-3-carboxamide
CID 109115022
2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-[(2-methoxybenzoyl)amino]-N-(oxolan-2-ylmethyl)benzamide
CID 3894665
N-cyclohexyl-6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-carboxamide
CID 109152489
4-N-[(3,4-dimethoxyphenyl)methyl]-1-N-(oxolan-2-ylmethyl)benzene-1,4-dicarboxamide
CID 109045599
5-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide
CID 109184994
6-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 109153644
2-[(3,4-dimethoxyphenyl)methylamino]-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109300914

Frequently Asked Questions

What is the IUPAC name of 6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(oxolan-2-ylmethyl)pyridazine-3-carboxamide?
The IUPAC name of 6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(oxolan-2-ylmethyl)pyridazine-3-carboxamide (CID 109115028) is 6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(oxolan-2-ylmethyl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(oxolan-2-ylmethyl)pyridazine-3-carboxamide?
The canonical SMILES for 6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(oxolan-2-ylmethyl)pyridazine-3-carboxamide is COc1cc2c(cc1OC)CN(c1ccc(C(=O)NCC3CCCO3)nn1)CC2.
What is the InChIKey of 6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(oxolan-2-ylmethyl)pyridazine-3-carboxamide?
The InChIKey is DZWZTCPDSVVNCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O4/c1-27-18-10-14-7-8-25(13-15(14)11-19(18)28-2)20-6-5-17(23-24-20)21(26)22-12-16-4-3-9-29-16/h5-6,10-11,16H,3-4,7-9,12-13H2,1-2H3,(H,22,26).
What are the key properties of 6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(oxolan-2-ylmethyl)pyridazine-3-carboxamide?
6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(oxolan-2-ylmethyl)pyridazine-3-carboxamide has a molecular weight of 398.46 g/mol, XLogP of 1.97, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(oxolan-2-ylmethyl)pyridazine-3-carboxamide is sourced from PubChem (CID 109115028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).