2-[2-(dimethylamino)-2-phenylacetyl]-7,7-dimethyl-1,3,6,11b-tetrahydropyrazino[2,1-a]isoquinolin-4-one

C24H29N3O2 — CID 110612333

IUPAC2-[2-(dimethylamino)-2-phenylacetyl]-7,7-dimethyl-1,3,6,11b-tetrahydropyrazino[2,1-a]isoquinolin-4-one
SMILESCN(C)C(C(=O)N1CC(=O)N2CC(C)(C)c3ccccc3C2C1)c1ccccc1
InChIInChI=1S/C24H29N3O2/c1-24(2)16-27-20(18-12-8-9-13-19(18)24)14-26(15-21(27)28)23(29)22(25(3)4)17-10-6-5-7-11-17/h5-13,20,22H,14-16H2,1-4H3
InChIKeyQBNWMZKRQAUJLB-UHFFFAOYSA-N
MW391.52 g/mol
LogP2.99
Rot. Bonds3

About 2-[2-(dimethylamino)-2-phenylacetyl]-7,7-dimethyl-1,3,6,11b-tetrahydropyrazino[2,1-a]isoquinolin-4-one

2-[2-(dimethylamino)-2-phenylacetyl]-7,7-dimethyl-1,3,6,11b-tetrahydropyrazino[2,1-a]isoquinolin-4-one (PubChem CID 110612333) has the molecular formula C24H29N3O2 and a molecular weight of 391.52 g/mol. Its IUPAC name is 2-[2-(dimethylamino)-2-phenylacetyl]-7,7-dimethyl-1,3,6,11b-tetrahydropyrazino[2,1-a]isoquinolin-4-one.

Molecular Properties

Compound Name2-[2-(dimethylamino)-2-phenylacetyl]-7,7-dimethyl-1,3,6,11b-tetrahydropyrazino[2,1-a]isoquinolin-4-one
PubChem CID110612333
Molecular FormulaC24H29N3O2
Molecular Weight391.52 g/mol
Exact Mass391.23
IUPAC Name2-[2-(dimethylamino)-2-phenylacetyl]-7,7-dimethyl-1,3,6,11b-tetrahydropyrazino[2,1-a]isoquinolin-4-one
SMILESCN(C)C(C(=O)N1CC(=O)N2CC(C)(C)c3ccccc3C2C1)c1ccccc1
InChIInChI=1S/C24H29N3O2/c1-24(2)16-27-20(18-12-8-9-13-19(18)24)14-26(15-21(27)28)23(29)22(25(3)4)17-10-6-5-7-11-17/h5-13,20,22H,14-16H2,1-4H3
InChIKeyQBNWMZKRQAUJLB-UHFFFAOYSA-N
XLogP2.99
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[2-(dimethylamino)-2-phenylacetyl]-7,7-dimethyl-1,3,6,11b-tetrahydropyrazino[2,1-a]isoquinolin-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)-2-phenylacetyl]-7,7-dimethyl-1,3,6,11b-tetrahydropyrazino[2,1-a]isoquinolin-4-one?
The IUPAC name of 2-[2-(dimethylamino)-2-phenylacetyl]-7,7-dimethyl-1,3,6,11b-tetrahydropyrazino[2,1-a]isoquinolin-4-one (CID 110612333) is 2-[2-(dimethylamino)-2-phenylacetyl]-7,7-dimethyl-1,3,6,11b-tetrahydropyrazino[2,1-a]isoquinolin-4-one.
What is the SMILES notation for 2-[2-(dimethylamino)-2-phenylacetyl]-7,7-dimethyl-1,3,6,11b-tetrahydropyrazino[2,1-a]isoquinolin-4-one?
The canonical SMILES for 2-[2-(dimethylamino)-2-phenylacetyl]-7,7-dimethyl-1,3,6,11b-tetrahydropyrazino[2,1-a]isoquinolin-4-one is CN(C)C(C(=O)N1CC(=O)N2CC(C)(C)c3ccccc3C2C1)c1ccccc1.
What is the InChIKey of 2-[2-(dimethylamino)-2-phenylacetyl]-7,7-dimethyl-1,3,6,11b-tetrahydropyrazino[2,1-a]isoquinolin-4-one?
The InChIKey is QBNWMZKRQAUJLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O2/c1-24(2)16-27-20(18-12-8-9-13-19(18)24)14-26(15-21(27)28)23(29)22(25(3)4)17-10-6-5-7-11-17/h5-13,20,22H,14-16H2,1-4H3.
What are the key properties of 2-[2-(dimethylamino)-2-phenylacetyl]-7,7-dimethyl-1,3,6,11b-tetrahydropyrazino[2,1-a]isoquinolin-4-one?
2-[2-(dimethylamino)-2-phenylacetyl]-7,7-dimethyl-1,3,6,11b-tetrahydropyrazino[2,1-a]isoquinolin-4-one has a molecular weight of 391.52 g/mol, XLogP of 2.99, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)-2-phenylacetyl]-7,7-dimethyl-1,3,6,11b-tetrahydropyrazino[2,1-a]isoquinolin-4-one is sourced from PubChem (CID 110612333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).