1-(1H-imidazol-5-yl)-8,9-dimethoxy-3-methyl-5,6-dihydroimidazo[5,1-a]isoquinoline

C17H18N4O2 — CID 70810214

IUPAC1-(1H-imidazol-5-yl)-8,9-dimethoxy-3-methyl-5,6-dihydroimidazo[5,1-a]isoquinoline
SMILESCOc1cc2c(cc1OC)-c1c(-c3cnc[nH]3)nc(C)n1CC2
InChIInChI=1S/C17H18N4O2/c1-10-20-16(13-8-18-9-19-13)17-12-7-15(23-3)14(22-2)6-11(12)4-5-21(10)17/h6-9H,4-5H2,1-3H3,(H,18,19)
InChIKeyBCJSTXULVXZDSU-UHFFFAOYSA-N
MW310.36 g/mol
LogP2.82
Rot. Bonds3

About 1-(1H-imidazol-5-yl)-8,9-dimethoxy-3-methyl-5,6-dihydroimidazo[5,1-a]isoquinoline

1-(1H-imidazol-5-yl)-8,9-dimethoxy-3-methyl-5,6-dihydroimidazo[5,1-a]isoquinoline (PubChem CID 70810214) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is 1-(1H-imidazol-5-yl)-8,9-dimethoxy-3-methyl-5,6-dihydroimidazo[5,1-a]isoquinoline.

Molecular Properties

Compound Name1-(1H-imidazol-5-yl)-8,9-dimethoxy-3-methyl-5,6-dihydroimidazo[5,1-a]isoquinoline
PubChem CID70810214
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC Name1-(1H-imidazol-5-yl)-8,9-dimethoxy-3-methyl-5,6-dihydroimidazo[5,1-a]isoquinoline
SMILESCOc1cc2c(cc1OC)-c1c(-c3cnc[nH]3)nc(C)n1CC2
InChIInChI=1S/C17H18N4O2/c1-10-20-16(13-8-18-9-19-13)17-12-7-15(23-3)14(22-2)6-11(12)4-5-21(10)17/h6-9H,4-5H2,1-3H3,(H,18,19)
InChIKeyBCJSTXULVXZDSU-UHFFFAOYSA-N
XLogP2.82
TPSA64.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(1H-imidazol-5-yl)-8,9-dimethoxy-3-methyl-5,6-dihydroimidazo[5,1-a]isoquinoline?
The IUPAC name of 1-(1H-imidazol-5-yl)-8,9-dimethoxy-3-methyl-5,6-dihydroimidazo[5,1-a]isoquinoline (CID 70810214) is 1-(1H-imidazol-5-yl)-8,9-dimethoxy-3-methyl-5,6-dihydroimidazo[5,1-a]isoquinoline.
What is the SMILES notation for 1-(1H-imidazol-5-yl)-8,9-dimethoxy-3-methyl-5,6-dihydroimidazo[5,1-a]isoquinoline?
The canonical SMILES for 1-(1H-imidazol-5-yl)-8,9-dimethoxy-3-methyl-5,6-dihydroimidazo[5,1-a]isoquinoline is COc1cc2c(cc1OC)-c1c(-c3cnc[nH]3)nc(C)n1CC2.
What is the InChIKey of 1-(1H-imidazol-5-yl)-8,9-dimethoxy-3-methyl-5,6-dihydroimidazo[5,1-a]isoquinoline?
The InChIKey is BCJSTXULVXZDSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2/c1-10-20-16(13-8-18-9-19-13)17-12-7-15(23-3)14(22-2)6-11(12)4-5-21(10)17/h6-9H,4-5H2,1-3H3,(H,18,19).
What are the key properties of 1-(1H-imidazol-5-yl)-8,9-dimethoxy-3-methyl-5,6-dihydroimidazo[5,1-a]isoquinoline?
1-(1H-imidazol-5-yl)-8,9-dimethoxy-3-methyl-5,6-dihydroimidazo[5,1-a]isoquinoline has a molecular weight of 310.36 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-imidazol-5-yl)-8,9-dimethoxy-3-methyl-5,6-dihydroimidazo[5,1-a]isoquinoline is sourced from PubChem (CID 70810214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).