1-(3,4-dihydro-1H-isoquinolin-2-yl)-6,7-dimethoxyisoquinoline

C20H20N2O2 — CID 11645449

IUPAC1-(3,4-dihydro-1H-isoquinolin-2-yl)-6,7-dimethoxyisoquinoline
SMILESCOc1cc2ccnc(N3CCc4ccccc4C3)c2cc1OC
InChIInChI=1S/C20H20N2O2/c1-23-18-11-15-7-9-21-20(17(15)12-19(18)24-2)22-10-8-14-5-3-4-6-16(14)13-22/h3-7,9,11-12H,8,10,13H2,1-2H3
InChIKeyYWQUEJLVFCBHRP-UHFFFAOYSA-N
MW320.39 g/mol
LogP3.81
Rot. Bonds3

About 1-(3,4-dihydro-1H-isoquinolin-2-yl)-6,7-dimethoxyisoquinoline

1-(3,4-dihydro-1H-isoquinolin-2-yl)-6,7-dimethoxyisoquinoline (PubChem CID 11645449) has the molecular formula C20H20N2O2 and a molecular weight of 320.39 g/mol. Its IUPAC name is 1-(3,4-dihydro-1H-isoquinolin-2-yl)-6,7-dimethoxyisoquinoline.

Molecular Properties

Compound Name1-(3,4-dihydro-1H-isoquinolin-2-yl)-6,7-dimethoxyisoquinoline
PubChem CID11645449
Molecular FormulaC20H20N2O2
Molecular Weight320.39 g/mol
Exact Mass320.15
IUPAC Name1-(3,4-dihydro-1H-isoquinolin-2-yl)-6,7-dimethoxyisoquinoline
SMILESCOc1cc2ccnc(N3CCc4ccccc4C3)c2cc1OC
InChIInChI=1S/C20H20N2O2/c1-23-18-11-15-7-9-21-20(17(15)12-19(18)24-2)22-10-8-14-5-3-4-6-16(14)13-22/h3-7,9,11-12H,8,10,13H2,1-2H3
InChIKeyYWQUEJLVFCBHRP-UHFFFAOYSA-N
XLogP3.81
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3,4-dihydro-1H-isoquinolin-2-yl)-6,7-dimethoxyquinazoline
CID 21002947
4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-ethoxy-7-methoxyquinazoline
CID 11537337
6,7-dimethoxy-1-(3-methylpiperazin-1-yl)isoquinoline
CID 106536890
(3R)-1-(6,7-dimethoxyisoquinolin-1-yl)piperidin-3-amine
CID 106541180
1-(6,7-dimethoxyisoquinolin-1-yl)-3-ethylazetidin-3-ol
CID 106541497
1-[3-(chloromethyl)pyrrolidin-1-yl]-6,7-dimethoxyisoquinoline
CID 106542621
4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-methylthieno[2,3-d]pyrimidine
CID 133407195
1-[4-(6,7-dimethoxyisoquinolin-1-yl)piperazin-1-yl]butan-1-one
CID 134115155
2-(6,7-dimethoxyquinazolin-4-yl)-3,4-dihydro-1H-isoquinolin-7-amine;ethane
CID 143095921
4-(1,3-dihydroisoindol-2-yl)-6-methoxyquinazolin-7-ol
CID 143413846
2-(2,3-dimethyl-1H-pyrrolo[2,3-c]pyridin-7-yl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline
CID 144743909
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methoxyphenyl)pyridine-3-carboxamide
CID 84574700

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-1H-isoquinolin-2-yl)-6,7-dimethoxyisoquinoline?
The IUPAC name of 1-(3,4-dihydro-1H-isoquinolin-2-yl)-6,7-dimethoxyisoquinoline (CID 11645449) is 1-(3,4-dihydro-1H-isoquinolin-2-yl)-6,7-dimethoxyisoquinoline.
What is the SMILES notation for 1-(3,4-dihydro-1H-isoquinolin-2-yl)-6,7-dimethoxyisoquinoline?
The canonical SMILES for 1-(3,4-dihydro-1H-isoquinolin-2-yl)-6,7-dimethoxyisoquinoline is COc1cc2ccnc(N3CCc4ccccc4C3)c2cc1OC.
What is the InChIKey of 1-(3,4-dihydro-1H-isoquinolin-2-yl)-6,7-dimethoxyisoquinoline?
The InChIKey is YWQUEJLVFCBHRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2/c1-23-18-11-15-7-9-21-20(17(15)12-19(18)24-2)22-10-8-14-5-3-4-6-16(14)13-22/h3-7,9,11-12H,8,10,13H2,1-2H3.
What are the key properties of 1-(3,4-dihydro-1H-isoquinolin-2-yl)-6,7-dimethoxyisoquinoline?
1-(3,4-dihydro-1H-isoquinolin-2-yl)-6,7-dimethoxyisoquinoline has a molecular weight of 320.39 g/mol, XLogP of 3.81, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-1H-isoquinolin-2-yl)-6,7-dimethoxyisoquinoline is sourced from PubChem (CID 11645449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).