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

C23H23N3O — CID 110308682

IUPAC1,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinolin-2-yl-(3-pyrrol-1-ylphenyl)methanone
SMILESO=C(c1cccc(-n2cccc2)c1)N1CCN2CCc3ccccc3C2C1
InChIInChI=1S/C23H23N3O/c27-23(19-7-5-8-20(16-19)24-11-3-4-12-24)26-15-14-25-13-10-18-6-1-2-9-21(18)22(25)17-26/h1-9,11-12,16,22H,10,13-15,17H2
InChIKeyTZJWABVXXPBNLM-UHFFFAOYSA-N
MW357.46 g/mol
LogP3.53
Rot. Bonds2

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

1,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinolin-2-yl-(3-pyrrol-1-ylphenyl)methanone (PubChem CID 110308682) has the molecular formula C23H23N3O and a molecular weight of 357.46 g/mol. Its IUPAC name is 1,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinolin-2-yl-(3-pyrrol-1-ylphenyl)methanone.

Molecular Properties

Compound Name1,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinolin-2-yl-(3-pyrrol-1-ylphenyl)methanone
PubChem CID110308682
Molecular FormulaC23H23N3O
Molecular Weight357.46 g/mol
Exact Mass357.18
IUPAC Name1,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinolin-2-yl-(3-pyrrol-1-ylphenyl)methanone
SMILESO=C(c1cccc(-n2cccc2)c1)N1CCN2CCc3ccccc3C2C1
InChIInChI=1S/C23H23N3O/c27-23(19-7-5-8-20(16-19)24-11-3-4-12-24)26-15-14-25-13-10-18-6-1-2-9-21(18)22(25)17-26/h1-9,11-12,16,22H,10,13-15,17H2
InChIKeyTZJWABVXXPBNLM-UHFFFAOYSA-N
XLogP3.53
TPSA28.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinolin-2-yl-(3-fluorophenyl)methanone
CID 110290825
[4-(2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]-(3-fluorophenyl)methanone
CID 110399802
1-(1,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinolin-2-yl)-2,2,2-trifluoroethanone
CID 78426240
1-(3-pyrrol-1-ylbenzoyl)pyrrolidine-3-carboxylic acid
CID 63031103
1-(1,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinolin-2-yl)-3-phenylpropan-1-one
CID 110290846
[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-(3-pyrrol-1-ylphenyl)methanone
CID 25355501
(3-amino-5-methylpiperidin-1-yl)-(3-pyrrol-1-ylphenyl)methanone
CID 166245161
[3-(dimethylamino)phenyl]-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)piperazin-1-yl]methanone
CID 46100791
(9aR)-8-methyl-2-[3-(1,2,4-triazol-4-yl)benzoyl]-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one
CID 95124209
[4-(furan-3-carbonyl)piperazin-1-yl]-(3-pyrrol-1-ylphenyl)methanone
CID 32532603
N-butan-2-yl-1,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinoline-2-carboxamide
CID 110629459
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-pyrrol-1-ylphenyl)methanone?
The IUPAC name of 1,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinolin-2-yl-(3-pyrrol-1-ylphenyl)methanone (CID 110308682) is 1,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinolin-2-yl-(3-pyrrol-1-ylphenyl)methanone.
What is the SMILES notation for 1,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinolin-2-yl-(3-pyrrol-1-ylphenyl)methanone?
The canonical SMILES for 1,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinolin-2-yl-(3-pyrrol-1-ylphenyl)methanone is O=C(c1cccc(-n2cccc2)c1)N1CCN2CCc3ccccc3C2C1.
What is the InChIKey of 1,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinolin-2-yl-(3-pyrrol-1-ylphenyl)methanone?
The InChIKey is TZJWABVXXPBNLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O/c27-23(19-7-5-8-20(16-19)24-11-3-4-12-24)26-15-14-25-13-10-18-6-1-2-9-21(18)22(25)17-26/h1-9,11-12,16,22H,10,13-15,17H2.
What are the key properties of 1,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinolin-2-yl-(3-pyrrol-1-ylphenyl)methanone?
1,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinolin-2-yl-(3-pyrrol-1-ylphenyl)methanone has a molecular weight of 357.46 g/mol, XLogP of 3.53, 2 rotatable bonds, 0 hydrogen bond donors, and 3 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-pyrrol-1-ylphenyl)methanone is sourced from PubChem (CID 110308682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).