9-methoxy-1,2-dimethyl-3-propyl-3,6,7,11b-tetrahydro-1H-pyrazino[2,1-a]isoquinolin-4-one

C18H26N2O2 — CID 142184615

IUPAC9-methoxy-1,2-dimethyl-3-propyl-3,6,7,11b-tetrahydro-1H-pyrazino[2,1-a]isoquinolin-4-one
SMILESCCCC1C(=O)N2CCc3cc(OC)ccc3C2C(C)N1C
InChIInChI=1S/C18H26N2O2/c1-5-6-16-18(21)20-10-9-13-11-14(22-4)7-8-15(13)17(20)12(2)19(16)3/h7-8,11-12,16-17H,5-6,9-10H2,1-4H3
InChIKeyTWHDTYJUJAFIOZ-UHFFFAOYSA-N
MW302.42 g/mol
LogP2.62
Rot. Bonds3

About 9-methoxy-1,2-dimethyl-3-propyl-3,6,7,11b-tetrahydro-1H-pyrazino[2,1-a]isoquinolin-4-one

9-methoxy-1,2-dimethyl-3-propyl-3,6,7,11b-tetrahydro-1H-pyrazino[2,1-a]isoquinolin-4-one (PubChem CID 142184615) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is 9-methoxy-1,2-dimethyl-3-propyl-3,6,7,11b-tetrahydro-1H-pyrazino[2,1-a]isoquinolin-4-one.

Molecular Properties

Compound Name9-methoxy-1,2-dimethyl-3-propyl-3,6,7,11b-tetrahydro-1H-pyrazino[2,1-a]isoquinolin-4-one
PubChem CID142184615
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Name9-methoxy-1,2-dimethyl-3-propyl-3,6,7,11b-tetrahydro-1H-pyrazino[2,1-a]isoquinolin-4-one
SMILESCCCC1C(=O)N2CCc3cc(OC)ccc3C2C(C)N1C
InChIInChI=1S/C18H26N2O2/c1-5-6-16-18(21)20-10-9-13-11-14(22-4)7-8-15(13)17(20)12(2)19(16)3/h7-8,11-12,16-17H,5-6,9-10H2,1-4H3
InChIKeyTWHDTYJUJAFIOZ-UHFFFAOYSA-N
XLogP2.62
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 9-methoxy-1,2-dimethyl-3-propyl-3,6,7,11b-tetrahydro-1H-pyrazino[2,1-a]isoquinolin-4-one with MolForge

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Related Compounds

3-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)propan-1-ol
CID 116995680
(1R)-6-methoxy-1-[(4-methoxyphenyl)methyl]-2-methyl-3,4-dihydro-1H-isoquinoline
CID 163017135
3-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)-2-methylpropanoic acid
CID 116995688
N-[(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl]propan-2-amine
CID 116995663
(8R,9S,13S,14S)-3-methoxy-13-methyl-7-propyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one
CID 142627734
(1R,2S,4aS,10aR)-1-butyl-7-methoxy-2-methyl-2,4,4a,9,10,10a-hexahydro-1H-phenanthren-3-one
CID 150061489
(11bS)-9-methoxy-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-one
CID 67568151
N-butan-2-yl-6-methoxy-1-methyl-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 110633711
3-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)cyclobutan-1-amine
CID 116995675
3-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)-2-methylpropan-1-amine
CID 116995657
(4R,4aS,10bR)-8-methoxy-4-propyl-2,4,4a,5,6,10b-hexahydro-1H-benzo[f]isothiochromene
CID 54752033
2-amino-2-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)ethanol
CID 116995713

Frequently Asked Questions

What is the IUPAC name of 9-methoxy-1,2-dimethyl-3-propyl-3,6,7,11b-tetrahydro-1H-pyrazino[2,1-a]isoquinolin-4-one?
The IUPAC name of 9-methoxy-1,2-dimethyl-3-propyl-3,6,7,11b-tetrahydro-1H-pyrazino[2,1-a]isoquinolin-4-one (CID 142184615) is 9-methoxy-1,2-dimethyl-3-propyl-3,6,7,11b-tetrahydro-1H-pyrazino[2,1-a]isoquinolin-4-one.
What is the SMILES notation for 9-methoxy-1,2-dimethyl-3-propyl-3,6,7,11b-tetrahydro-1H-pyrazino[2,1-a]isoquinolin-4-one?
The canonical SMILES for 9-methoxy-1,2-dimethyl-3-propyl-3,6,7,11b-tetrahydro-1H-pyrazino[2,1-a]isoquinolin-4-one is CCCC1C(=O)N2CCc3cc(OC)ccc3C2C(C)N1C.
What is the InChIKey of 9-methoxy-1,2-dimethyl-3-propyl-3,6,7,11b-tetrahydro-1H-pyrazino[2,1-a]isoquinolin-4-one?
The InChIKey is TWHDTYJUJAFIOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-5-6-16-18(21)20-10-9-13-11-14(22-4)7-8-15(13)17(20)12(2)19(16)3/h7-8,11-12,16-17H,5-6,9-10H2,1-4H3.
What are the key properties of 9-methoxy-1,2-dimethyl-3-propyl-3,6,7,11b-tetrahydro-1H-pyrazino[2,1-a]isoquinolin-4-one?
9-methoxy-1,2-dimethyl-3-propyl-3,6,7,11b-tetrahydro-1H-pyrazino[2,1-a]isoquinolin-4-one has a molecular weight of 302.42 g/mol, XLogP of 2.62, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methoxy-1,2-dimethyl-3-propyl-3,6,7,11b-tetrahydro-1H-pyrazino[2,1-a]isoquinolin-4-one is sourced from PubChem (CID 142184615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).