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

C22H24N2O2 — CID 110424270

IUPAC7,7-dimethyl-2-(3-methylbenzoyl)-1,3,6,11b-tetrahydropyrazino[2,1-a]isoquinolin-4-one
SMILESCc1cccc(C(=O)N2CC(=O)N3CC(C)(C)c4ccccc4C3C2)c1
InChIInChI=1S/C22H24N2O2/c1-15-7-6-8-16(11-15)21(26)23-12-19-17-9-4-5-10-18(17)22(2,3)14-24(19)20(25)13-23/h4-11,19H,12-14H2,1-3H3
InChIKeyLSUDHPFZNGSRIA-UHFFFAOYSA-N
MW348.45 g/mol
LogP3.31
Rot. Bonds1

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

7,7-dimethyl-2-(3-methylbenzoyl)-1,3,6,11b-tetrahydropyrazino[2,1-a]isoquinolin-4-one (PubChem CID 110424270) has the molecular formula C22H24N2O2 and a molecular weight of 348.45 g/mol. Its IUPAC name is 7,7-dimethyl-2-(3-methylbenzoyl)-1,3,6,11b-tetrahydropyrazino[2,1-a]isoquinolin-4-one.

Molecular Properties

Compound Name7,7-dimethyl-2-(3-methylbenzoyl)-1,3,6,11b-tetrahydropyrazino[2,1-a]isoquinolin-4-one
PubChem CID110424270
Molecular FormulaC22H24N2O2
Molecular Weight348.45 g/mol
Exact Mass348.18
IUPAC Name7,7-dimethyl-2-(3-methylbenzoyl)-1,3,6,11b-tetrahydropyrazino[2,1-a]isoquinolin-4-one
SMILESCc1cccc(C(=O)N2CC(=O)N3CC(C)(C)c4ccccc4C3C2)c1
InChIInChI=1S/C22H24N2O2/c1-15-7-6-8-16(11-15)21(26)23-12-19-17-9-4-5-10-18(17)22(2,3)14-24(19)20(25)13-23/h4-11,19H,12-14H2,1-3H3
InChIKeyLSUDHPFZNGSRIA-UHFFFAOYSA-N
XLogP3.31
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-2-(3-methylbenzoyl)-1,3,6,11b-tetrahydropyrazino[2,1-a]isoquinolin-4-one?
The IUPAC name of 7,7-dimethyl-2-(3-methylbenzoyl)-1,3,6,11b-tetrahydropyrazino[2,1-a]isoquinolin-4-one (CID 110424270) is 7,7-dimethyl-2-(3-methylbenzoyl)-1,3,6,11b-tetrahydropyrazino[2,1-a]isoquinolin-4-one.
What is the SMILES notation for 7,7-dimethyl-2-(3-methylbenzoyl)-1,3,6,11b-tetrahydropyrazino[2,1-a]isoquinolin-4-one?
The canonical SMILES for 7,7-dimethyl-2-(3-methylbenzoyl)-1,3,6,11b-tetrahydropyrazino[2,1-a]isoquinolin-4-one is Cc1cccc(C(=O)N2CC(=O)N3CC(C)(C)c4ccccc4C3C2)c1.
What is the InChIKey of 7,7-dimethyl-2-(3-methylbenzoyl)-1,3,6,11b-tetrahydropyrazino[2,1-a]isoquinolin-4-one?
The InChIKey is LSUDHPFZNGSRIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O2/c1-15-7-6-8-16(11-15)21(26)23-12-19-17-9-4-5-10-18(17)22(2,3)14-24(19)20(25)13-23/h4-11,19H,12-14H2,1-3H3.
What are the key properties of 7,7-dimethyl-2-(3-methylbenzoyl)-1,3,6,11b-tetrahydropyrazino[2,1-a]isoquinolin-4-one?
7,7-dimethyl-2-(3-methylbenzoyl)-1,3,6,11b-tetrahydropyrazino[2,1-a]isoquinolin-4-one has a molecular weight of 348.45 g/mol, XLogP of 3.31, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-2-(3-methylbenzoyl)-1,3,6,11b-tetrahydropyrazino[2,1-a]isoquinolin-4-one is sourced from PubChem (CID 110424270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).