8,9-dimethoxy-3-phenyl-1-propyl-5,6-dihydroimidazo[5,1-a]isoquinoline

C22H24N2O2 — CID 139593043

IUPAC8,9-dimethoxy-3-phenyl-1-propyl-5,6-dihydroimidazo[5,1-a]isoquinoline
SMILESCCCc1nc(-c2ccccc2)n2c1-c1cc(OC)c(OC)cc1CC2
InChIInChI=1S/C22H24N2O2/c1-4-8-18-21-17-14-20(26-3)19(25-2)13-16(17)11-12-24(21)22(23-18)15-9-6-5-7-10-15/h5-7,9-10,13-14H,4,8,11-12H2,1-3H3
InChIKeyLVVOWZVZLCBNBP-UHFFFAOYSA-N
MW348.45 g/mol
LogP4.74
Rot. Bonds5

About 8,9-dimethoxy-3-phenyl-1-propyl-5,6-dihydroimidazo[5,1-a]isoquinoline

8,9-dimethoxy-3-phenyl-1-propyl-5,6-dihydroimidazo[5,1-a]isoquinoline (PubChem CID 139593043) has the molecular formula C22H24N2O2 and a molecular weight of 348.45 g/mol. Its IUPAC name is 8,9-dimethoxy-3-phenyl-1-propyl-5,6-dihydroimidazo[5,1-a]isoquinoline.

Molecular Properties

Compound Name8,9-dimethoxy-3-phenyl-1-propyl-5,6-dihydroimidazo[5,1-a]isoquinoline
PubChem CID139593043
Molecular FormulaC22H24N2O2
Molecular Weight348.45 g/mol
Exact Mass348.18
IUPAC Name8,9-dimethoxy-3-phenyl-1-propyl-5,6-dihydroimidazo[5,1-a]isoquinoline
SMILESCCCc1nc(-c2ccccc2)n2c1-c1cc(OC)c(OC)cc1CC2
InChIInChI=1S/C22H24N2O2/c1-4-8-18-21-17-14-20(26-3)19(25-2)13-16(17)11-12-24(21)22(23-18)15-9-6-5-7-10-15/h5-7,9-10,13-14H,4,8,11-12H2,1-3H3
InChIKeyLVVOWZVZLCBNBP-UHFFFAOYSA-N
XLogP4.74
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

8,9-dimethoxy-3-phenyl-1-pyridin-3-yl-5,6-dihydroimidazo[5,1-a]isoquinoline
CID 70810136
8,9-dimethoxy-1-phenyl-3-(2-phenylethyl)-5,6-dihydropyrrolo[2,1-a]isoquinoline
CID 23254647
ethyl 8,9-dimethoxy-1-phenyl-5,6-dihydropyrrolo[2,1-a]isoquinoline-3-carboxylate
CID 66925895
1-bromo-8,9-dimethoxy-3-phenylsulfanyl-5,6-dihydroimidazo[5,1-a]isoquinoline;carbon dioxide
CID 142028906
1-(3,4-dimethoxyphenyl)-2-hydroxy-9,10-dimethoxy-3-phenyl-6,7-dihydrobenzo[a]quinolizin-4-one
CID 110273739
ethyl 2-(2-chlorophenyl)-8,9-dimethoxy-3-methyl-5,6-dihydropyrrolo[2,1-a]isoquinoline-1-carboxylate
CID 20823058
ethyl 8,9-dimethoxy-3-methyl-2-(1-methylpyrrol-2-yl)-5,6-dihydropyrrolo[2,1-a]isoquinoline-1-carboxylate
CID 59125469
2-(3-chlorophenyl)-8,9-dimethoxy-3-methyl-5,6-dihydropyrrolo[2,1-a]isoquinoline
CID 142211315
2,3,8-trimethoxy-5,6-dihydroindolo[2,1-a]isoquinoline
CID 45483590
ethyl 8,9-dimethoxy-3-methyl-2-quinolin-4-yl-5,6-dihydropyrrolo[2,1-a]isoquinoline-1-carboxylate
CID 59125490
methyl 2-(3-hydroxyphenyl)-8,9-dimethoxy-3-methyl-5,6-dihydropyrrolo[2,1-a]isoquinoline-1-carboxylate
CID 10200581
2,3,8,9-tetramethoxy-11,12-dihydroquinazolino[3,2-c][3]benzazepine-6,14-dione
CID 12012977

Frequently Asked Questions

What is the IUPAC name of 8,9-dimethoxy-3-phenyl-1-propyl-5,6-dihydroimidazo[5,1-a]isoquinoline?
The IUPAC name of 8,9-dimethoxy-3-phenyl-1-propyl-5,6-dihydroimidazo[5,1-a]isoquinoline (CID 139593043) is 8,9-dimethoxy-3-phenyl-1-propyl-5,6-dihydroimidazo[5,1-a]isoquinoline.
What is the SMILES notation for 8,9-dimethoxy-3-phenyl-1-propyl-5,6-dihydroimidazo[5,1-a]isoquinoline?
The canonical SMILES for 8,9-dimethoxy-3-phenyl-1-propyl-5,6-dihydroimidazo[5,1-a]isoquinoline is CCCc1nc(-c2ccccc2)n2c1-c1cc(OC)c(OC)cc1CC2.
What is the InChIKey of 8,9-dimethoxy-3-phenyl-1-propyl-5,6-dihydroimidazo[5,1-a]isoquinoline?
The InChIKey is LVVOWZVZLCBNBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O2/c1-4-8-18-21-17-14-20(26-3)19(25-2)13-16(17)11-12-24(21)22(23-18)15-9-6-5-7-10-15/h5-7,9-10,13-14H,4,8,11-12H2,1-3H3.
What are the key properties of 8,9-dimethoxy-3-phenyl-1-propyl-5,6-dihydroimidazo[5,1-a]isoquinoline?
8,9-dimethoxy-3-phenyl-1-propyl-5,6-dihydroimidazo[5,1-a]isoquinoline has a molecular weight of 348.45 g/mol, XLogP of 4.74, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8,9-dimethoxy-3-phenyl-1-propyl-5,6-dihydroimidazo[5,1-a]isoquinoline is sourced from PubChem (CID 139593043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).