1,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinolin-2-yl-(3-fluorophenyl)methanone

C19H19FN2O — CID 110290825

IUPAC1,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinolin-2-yl-(3-fluorophenyl)methanone
SMILESO=C(c1cccc(F)c1)N1CCN2CCc3ccccc3C2C1
InChIInChI=1S/C19H19FN2O/c20-16-6-3-5-15(12-16)19(23)22-11-10-21-9-8-14-4-1-2-7-17(14)18(21)13-22/h1-7,12,18H,8-11,13H2
InChIKeyAZBQTMQQQKOPLM-UHFFFAOYSA-N
MW310.37 g/mol
LogP2.88
Rot. Bonds1

About 1,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinolin-2-yl-(3-fluorophenyl)methanone

1,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinolin-2-yl-(3-fluorophenyl)methanone (PubChem CID 110290825) has the molecular formula C19H19FN2O and a molecular weight of 310.37 g/mol. Its IUPAC name is 1,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinolin-2-yl-(3-fluorophenyl)methanone.

Molecular Properties

Compound Name1,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinolin-2-yl-(3-fluorophenyl)methanone
PubChem CID110290825
Molecular FormulaC19H19FN2O
Molecular Weight310.37 g/mol
Exact Mass310.15
IUPAC Name1,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinolin-2-yl-(3-fluorophenyl)methanone
SMILESO=C(c1cccc(F)c1)N1CCN2CCc3ccccc3C2C1
InChIInChI=1S/C19H19FN2O/c20-16-6-3-5-15(12-16)19(23)22-11-10-21-9-8-14-4-1-2-7-17(14)18(21)13-22/h1-7,12,18H,8-11,13H2
InChIKeyAZBQTMQQQKOPLM-UHFFFAOYSA-N
XLogP2.88
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.37
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinolin-2-yl-(3-fluorophenyl)methanone with MolForge

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Related Compounds

[4-(2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]-(3-fluorophenyl)methanone
CID 110399802
1,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinolin-2-yl-(3-pyrrol-1-ylphenyl)methanone
CID 110308682
1-(1,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinolin-2-yl)-2,2,2-trifluoroethanone
CID 78426240
(3,4-difluorophenyl)-[4-(2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]methanone
CID 110399834
[4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]-(3-fluorophenyl)methanone
CID 125129968
1-[(2S)-4-(3-fluorobenzoyl)-2-phenylpiperazin-1-yl]ethanone
CID 124991694
(4-cyclopentylpiperazin-1-yl)-(3-fluorophenyl)methanone
CID 764831
[4-(3-fluorobenzoyl)-1,4-diazepan-1-yl]-(3-fluorophenyl)methanone
CID 753113
(3-fluorophenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 66261910
N-butan-2-yl-1,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinoline-2-carboxamide
CID 110629459
1-(1,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinolin-2-yl)-3-phenylpropan-1-one
CID 110290846
1,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinolin-2-yl-[5-(furan-2-yl)-1,2-oxazol-3-yl]methanone
CID 110308683

Frequently Asked Questions

What is the IUPAC name of 1,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinolin-2-yl-(3-fluorophenyl)methanone?
The IUPAC name of 1,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinolin-2-yl-(3-fluorophenyl)methanone (CID 110290825) is 1,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinolin-2-yl-(3-fluorophenyl)methanone.
What is the SMILES notation for 1,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinolin-2-yl-(3-fluorophenyl)methanone?
The canonical SMILES for 1,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinolin-2-yl-(3-fluorophenyl)methanone is O=C(c1cccc(F)c1)N1CCN2CCc3ccccc3C2C1.
What is the InChIKey of 1,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinolin-2-yl-(3-fluorophenyl)methanone?
The InChIKey is AZBQTMQQQKOPLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O/c20-16-6-3-5-15(12-16)19(23)22-11-10-21-9-8-14-4-1-2-7-17(14)18(21)13-22/h1-7,12,18H,8-11,13H2.
What are the key properties of 1,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinolin-2-yl-(3-fluorophenyl)methanone?
1,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinolin-2-yl-(3-fluorophenyl)methanone has a molecular weight of 310.37 g/mol, XLogP of 2.88, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinolin-2-yl-(3-fluorophenyl)methanone is sourced from PubChem (CID 110290825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).