1-(6,7-dimethoxyisoquinolin-1-yl)-6,7-dimethoxyisoquinoline;1H-imidazole

C25H24N4O4 — CID 118421351

IUPAC1-(6,7-dimethoxyisoquinolin-1-yl)-6,7-dimethoxyisoquinoline;1H-imidazole
SMILESCOc1cc2ccnc(-c3nccc4cc(OC)c(OC)cc34)c2cc1OC.c1c[nH]cn1
InChIInChI=1S/C22H20N2O4.C3H4N2/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;1-2-5-3-4-1/h5-12H,1-4H3;1-3H,(H,4,5)
InChIKeyGAQMKKWPSHTGTB-UHFFFAOYSA-N
MW444.49 g/mol
LogP4.89
Rot. Bonds5

About 1-(6,7-dimethoxyisoquinolin-1-yl)-6,7-dimethoxyisoquinoline;1H-imidazole

1-(6,7-dimethoxyisoquinolin-1-yl)-6,7-dimethoxyisoquinoline;1H-imidazole (PubChem CID 118421351) has the molecular formula C25H24N4O4 and a molecular weight of 444.49 g/mol. Its IUPAC name is 1-(6,7-dimethoxyisoquinolin-1-yl)-6,7-dimethoxyisoquinoline;1H-imidazole.

Molecular Properties

Compound Name1-(6,7-dimethoxyisoquinolin-1-yl)-6,7-dimethoxyisoquinoline;1H-imidazole
PubChem CID118421351
Molecular FormulaC25H24N4O4
Molecular Weight444.49 g/mol
Exact Mass444.18
IUPAC Name1-(6,7-dimethoxyisoquinolin-1-yl)-6,7-dimethoxyisoquinoline;1H-imidazole
SMILESCOc1cc2ccnc(-c3nccc4cc(OC)c(OC)cc34)c2cc1OC.c1c[nH]cn1
InChIInChI=1S/C22H20N2O4.C3H4N2/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;1-2-5-3-4-1/h5-12H,1-4H3;1-3H,(H,4,5)
InChIKeyGAQMKKWPSHTGTB-UHFFFAOYSA-N
XLogP4.89
TPSA91.38 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.49
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(6,7-dimethoxyisoquinolin-1-yl)-6,7-dimethoxyisoquinoline;1H-imidazole?
The IUPAC name of 1-(6,7-dimethoxyisoquinolin-1-yl)-6,7-dimethoxyisoquinoline;1H-imidazole (CID 118421351) is 1-(6,7-dimethoxyisoquinolin-1-yl)-6,7-dimethoxyisoquinoline;1H-imidazole.
What is the SMILES notation for 1-(6,7-dimethoxyisoquinolin-1-yl)-6,7-dimethoxyisoquinoline;1H-imidazole?
The canonical SMILES for 1-(6,7-dimethoxyisoquinolin-1-yl)-6,7-dimethoxyisoquinoline;1H-imidazole is COc1cc2ccnc(-c3nccc4cc(OC)c(OC)cc34)c2cc1OC.c1c[nH]cn1.
What is the InChIKey of 1-(6,7-dimethoxyisoquinolin-1-yl)-6,7-dimethoxyisoquinoline;1H-imidazole?
The InChIKey is GAQMKKWPSHTGTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O4.C3H4N2/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;1-2-5-3-4-1/h5-12H,1-4H3;1-3H,(H,4,5).
What are the key properties of 1-(6,7-dimethoxyisoquinolin-1-yl)-6,7-dimethoxyisoquinoline;1H-imidazole?
1-(6,7-dimethoxyisoquinolin-1-yl)-6,7-dimethoxyisoquinoline;1H-imidazole has a molecular weight of 444.49 g/mol, XLogP of 4.89, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6,7-dimethoxyisoquinolin-1-yl)-6,7-dimethoxyisoquinoline;1H-imidazole is sourced from PubChem (CID 118421351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).