8,9-dimethoxy-5,6-dihydroimidazo[5,1-a]isoquinolin-3-amine

C13H15N3O2 — CID 12748079

IUPAC8,9-dimethoxy-5,6-dihydroimidazo[5,1-a]isoquinolin-3-amine
SMILESCOc1cc2c(cc1OC)-c1cnc(N)n1CC2
InChIInChI=1S/C13H15N3O2/c1-17-11-5-8-3-4-16-10(7-15-13(16)14)9(8)6-12(11)18-2/h5-7H,3-4H2,1-2H3,(H2,14,15)
InChIKeyOMACPDYTRBSGOS-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.71
Rot. Bonds2

About 8,9-dimethoxy-5,6-dihydroimidazo[5,1-a]isoquinolin-3-amine

8,9-dimethoxy-5,6-dihydroimidazo[5,1-a]isoquinolin-3-amine (PubChem CID 12748079) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 8,9-dimethoxy-5,6-dihydroimidazo[5,1-a]isoquinolin-3-amine.

Molecular Properties

Compound Name8,9-dimethoxy-5,6-dihydroimidazo[5,1-a]isoquinolin-3-amine
PubChem CID12748079
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name8,9-dimethoxy-5,6-dihydroimidazo[5,1-a]isoquinolin-3-amine
SMILESCOc1cc2c(cc1OC)-c1cnc(N)n1CC2
InChIInChI=1S/C13H15N3O2/c1-17-11-5-8-3-4-16-10(7-15-13(16)14)9(8)6-12(11)18-2/h5-7H,3-4H2,1-2H3,(H2,14,15)
InChIKeyOMACPDYTRBSGOS-UHFFFAOYSA-N
XLogP1.71
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

9,10-dimethoxy-6,7-dihydro-5H-imidazo[5,1-a][2]benzazepin-3-amine;N-[(4-fluorophenyl)methyl]-9,10-dimethoxy-6,7-dihydro-5H-imidazo[5,1-a][2]benzazepin-3-amine;phosphane;hydrofluoride
CID 160682394
2,3-dimethoxy-5,6-dihydroisoquinolino[2,1-b][2,7]naphthyridin-8-one
CID 11833790
2,3,8-trimethoxy-5,6-dihydroindolo[2,1-a]isoquinoline
CID 45483590
2,3,6,7-tetramethoxy-9,10-dihydrophenanthrene
CID 848565
2-chloro-9-ethoxy-10-methoxy-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one
CID 146299674
9,10-dimethoxy-2-(2-pyridin-2-yloxyethoxy)-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one
CID 162642975
3-ethyl-2-hydroxy-9,10-dimethoxy-6,7-dihydrobenzo[a]quinolizin-4-one
CID 54705679
4,5-dimethoxy-10,14,15-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(17),2,4,6,11,13,15-heptaene
CID 67809413
1-(1H-imidazol-5-yl)-8,9-dimethoxy-3-methyl-5,6-dihydroimidazo[5,1-a]isoquinoline
CID 70810214
6,7-dimethoxy-2-methyl-1-methylidene-3,4-dihydroisoquinoline
CID 11063933
9,10-dimethoxy-2-(2-morpholin-4-ylethoxy)-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one
CID 666085
2-(4-butoxyphenoxy)-9,10-dimethoxy-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one
CID 7093146

Frequently Asked Questions

What is the IUPAC name of 8,9-dimethoxy-5,6-dihydroimidazo[5,1-a]isoquinolin-3-amine?
The IUPAC name of 8,9-dimethoxy-5,6-dihydroimidazo[5,1-a]isoquinolin-3-amine (CID 12748079) is 8,9-dimethoxy-5,6-dihydroimidazo[5,1-a]isoquinolin-3-amine.
What is the SMILES notation for 8,9-dimethoxy-5,6-dihydroimidazo[5,1-a]isoquinolin-3-amine?
The canonical SMILES for 8,9-dimethoxy-5,6-dihydroimidazo[5,1-a]isoquinolin-3-amine is COc1cc2c(cc1OC)-c1cnc(N)n1CC2.
What is the InChIKey of 8,9-dimethoxy-5,6-dihydroimidazo[5,1-a]isoquinolin-3-amine?
The InChIKey is OMACPDYTRBSGOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-17-11-5-8-3-4-16-10(7-15-13(16)14)9(8)6-12(11)18-2/h5-7H,3-4H2,1-2H3,(H2,14,15).
What are the key properties of 8,9-dimethoxy-5,6-dihydroimidazo[5,1-a]isoquinolin-3-amine?
8,9-dimethoxy-5,6-dihydroimidazo[5,1-a]isoquinolin-3-amine has a molecular weight of 245.28 g/mol, XLogP of 1.71, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8,9-dimethoxy-5,6-dihydroimidazo[5,1-a]isoquinolin-3-amine is sourced from PubChem (CID 12748079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).