1-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)-6,7-dimethoxyisoquinoline

C22H22N2O4 — CID 44817458

IUPAC1-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)-6,7-dimethoxyisoquinoline
SMILESCOc1cc2c(cc1OC)C(c1nccc3cc(OC)c(OC)cc13)=NCC2
InChIInChI=1S/C22H22N2O4/c1-25-17-9-13-5-7-23-21(15(13)11-19(17)27-3)22-16-12-20(28-4)18(26-2)10-14(16)6-8-24-22/h5,7,9-12H,6,8H2,1-4H3
InChIKeyIDSHRCRSNFMYTJ-UHFFFAOYSA-N
MW378.43 g/mol
LogP3.66
Rot. Bonds5

About 1-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)-6,7-dimethoxyisoquinoline

1-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)-6,7-dimethoxyisoquinoline (PubChem CID 44817458) has the molecular formula C22H22N2O4 and a molecular weight of 378.43 g/mol. Its IUPAC name is 1-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)-6,7-dimethoxyisoquinoline.

Molecular Properties

Compound Name1-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)-6,7-dimethoxyisoquinoline
PubChem CID44817458
Molecular FormulaC22H22N2O4
Molecular Weight378.43 g/mol
Exact Mass378.16
IUPAC Name1-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)-6,7-dimethoxyisoquinoline
SMILESCOc1cc2c(cc1OC)C(c1nccc3cc(OC)c(OC)cc13)=NCC2
InChIInChI=1S/C22H22N2O4/c1-25-17-9-13-5-7-23-21(15(13)11-19(17)27-3)22-16-12-20(28-4)18(26-2)10-14(16)6-8-24-22/h5,7,9-12H,6,8H2,1-4H3
InChIKeyIDSHRCRSNFMYTJ-UHFFFAOYSA-N
XLogP3.66
TPSA62.17 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)-6,7-dimethoxyisoquinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6,7-dimethoxy-1-(4-methylphenyl)isoquinoline
CID 46915406
6,7-dimethoxy-1-(4-methoxyphenyl)isoquinoline
CID 50923051
6,7-dimethoxy-1-(3-methoxyphenyl)-3,4-dihydroisoquinoline
CID 626628
1-(2,3-dimethoxyphenyl)-6,7-dimethoxyisoquinoline;hydrochloride
CID 3029064
1-(3-bromophenyl)-6,7-dimethoxy-3,4-dihydroisoquinoline
CID 13419015
1-(2-ethoxy-3,5-dimethoxyphenyl)-6,7-dimethoxy-3,4-dihydroisoquinoline
CID 139635568
1-[2-[[2-(6,7-dimethoxyisoquinolin-1-yl)phenyl]disulfanyl]phenyl]-6,7-dimethoxyisoquinoline
CID 54476721
7-methoxy-1-phenyl-6-phenylmethoxy-3,4-dihydroisoquinoline
CID 11110673
(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)methanamine
CID 16637178
6,7-dimethoxy-1-methylisoquinoline
CID 20725
3-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)-1-methylindol-2-ol
CID 135470258
1-(6,7-dimethoxyisoquinolin-1-yl)-6,7-dimethoxyisoquinoline;1H-imidazole
CID 118421351

Frequently Asked Questions

What is the IUPAC name of 1-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)-6,7-dimethoxyisoquinoline?
The IUPAC name of 1-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)-6,7-dimethoxyisoquinoline (CID 44817458) is 1-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)-6,7-dimethoxyisoquinoline.
What is the SMILES notation for 1-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)-6,7-dimethoxyisoquinoline?
The canonical SMILES for 1-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)-6,7-dimethoxyisoquinoline is COc1cc2c(cc1OC)C(c1nccc3cc(OC)c(OC)cc13)=NCC2.
What is the InChIKey of 1-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)-6,7-dimethoxyisoquinoline?
The InChIKey is IDSHRCRSNFMYTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O4/c1-25-17-9-13-5-7-23-21(15(13)11-19(17)27-3)22-16-12-20(28-4)18(26-2)10-14(16)6-8-24-22/h5,7,9-12H,6,8H2,1-4H3.
What are the key properties of 1-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)-6,7-dimethoxyisoquinoline?
1-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)-6,7-dimethoxyisoquinoline has a molecular weight of 378.43 g/mol, XLogP of 3.66, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)-6,7-dimethoxyisoquinoline is sourced from PubChem (CID 44817458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).