6,7-dimethoxy-2-[6-(2-methoxyphenyl)pyridazin-3-yl]-3,4-dihydro-1H-isoquinoline

C22H23N3O3 — CID 651832

IUPAC6,7-dimethoxy-2-[6-(2-methoxyphenyl)pyridazin-3-yl]-3,4-dihydro-1H-isoquinoline
SMILESCOc1cc2c(cc1OC)CN(c1ccc(-c3ccccc3OC)nn1)CC2
InChIInChI=1S/C22H23N3O3/c1-26-19-7-5-4-6-17(19)18-8-9-22(24-23-18)25-11-10-15-12-20(27-2)21(28-3)13-16(15)14-25/h4-9,12-13H,10-11,14H2,1-3H3
InChIKeyIALYRNAZULNMEL-UHFFFAOYSA-N
MW377.44 g/mol
LogP3.73
Rot. Bonds5

About 6,7-dimethoxy-2-[6-(2-methoxyphenyl)pyridazin-3-yl]-3,4-dihydro-1H-isoquinoline

6,7-dimethoxy-2-[6-(2-methoxyphenyl)pyridazin-3-yl]-3,4-dihydro-1H-isoquinoline (PubChem CID 651832) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is 6,7-dimethoxy-2-[6-(2-methoxyphenyl)pyridazin-3-yl]-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name6,7-dimethoxy-2-[6-(2-methoxyphenyl)pyridazin-3-yl]-3,4-dihydro-1H-isoquinoline
PubChem CID651832
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC Name6,7-dimethoxy-2-[6-(2-methoxyphenyl)pyridazin-3-yl]-3,4-dihydro-1H-isoquinoline
SMILESCOc1cc2c(cc1OC)CN(c1ccc(-c3ccccc3OC)nn1)CC2
InChIInChI=1S/C22H23N3O3/c1-26-19-7-5-4-6-17(19)18-8-9-22(24-23-18)25-11-10-15-12-20(27-2)21(28-3)13-16(15)14-25/h4-9,12-13H,10-11,14H2,1-3H3
InChIKeyIALYRNAZULNMEL-UHFFFAOYSA-N
XLogP3.73
TPSA56.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-Ethoxyphenyl)-4-(piperidin-1-yl)phthalazine
CID 6401112
Sos1-IN-13
CID 156496067
(2-Cyclohex-1-enyl-ethyl)-[6-(3,4-dimethoxy-phenyl)-pyridazin-3-yl]-amine
CID 655276
1-(4-Methoxyphenyl)-4-(morpholin-4-yl)phthalazine
CID 6401297
4-[6-(2-Phenylmethoxyphenyl)pyridazin-3-yl]morpholine
CID 46226110
1-(4-Methoxyphenyl)-4-(1-piperidinyl)phthalazine
CID 2885308
1-(4-Methoxyphenyl)-4-(4-methylpiperidin-1-yl)phthalazine
CID 2952562
(4-Methoxy-benzyl)-[6-(2-methoxy-phenyl)-pyridazin-3-yl]-amine
CID 6411205
[6-(3,4-Dimethoxy-phenyl)-pyridazin-3-yl]-(2-morpholin-4-yl-ethyl)-amine
CID 24747011
N,N-diethyl-6-(3-methoxyphenyl)pyridazin-3-amine
CID 71528508
3-(2-Methoxyphenyl)-6-(4-methylpiperazin-1-yl)pyridazine
CID 71528509
1-(6,7-Dimethoxyphthalazin-1-yl)-5-phenylpiperidin-3-ol
CID 122185004

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-2-[6-(2-methoxyphenyl)pyridazin-3-yl]-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 6,7-dimethoxy-2-[6-(2-methoxyphenyl)pyridazin-3-yl]-3,4-dihydro-1H-isoquinoline (CID 651832) is 6,7-dimethoxy-2-[6-(2-methoxyphenyl)pyridazin-3-yl]-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 6,7-dimethoxy-2-[6-(2-methoxyphenyl)pyridazin-3-yl]-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 6,7-dimethoxy-2-[6-(2-methoxyphenyl)pyridazin-3-yl]-3,4-dihydro-1H-isoquinoline is COc1cc2c(cc1OC)CN(c1ccc(-c3ccccc3OC)nn1)CC2.
What is the InChIKey of 6,7-dimethoxy-2-[6-(2-methoxyphenyl)pyridazin-3-yl]-3,4-dihydro-1H-isoquinoline?
The InChIKey is IALYRNAZULNMEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-26-19-7-5-4-6-17(19)18-8-9-22(24-23-18)25-11-10-15-12-20(27-2)21(28-3)13-16(15)14-25/h4-9,12-13H,10-11,14H2,1-3H3.
What are the key properties of 6,7-dimethoxy-2-[6-(2-methoxyphenyl)pyridazin-3-yl]-3,4-dihydro-1H-isoquinoline?
6,7-dimethoxy-2-[6-(2-methoxyphenyl)pyridazin-3-yl]-3,4-dihydro-1H-isoquinoline has a molecular weight of 377.44 g/mol, XLogP of 3.73, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-2-[6-(2-methoxyphenyl)pyridazin-3-yl]-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 651832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).