(7R,11bS)-10-hydroxy-7-phenyl-2,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinolin-1-one;dihydrochloride

C18H20Cl2N2O2 — CID 70381528

IUPAC(7R,11bS)-10-hydroxy-7-phenyl-2,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinolin-1-one;dihydrochloride
SMILESCl.Cl.O=C1NCCN2C[C@H](c3ccccc3)c3ccc(O)cc3[C@@H]12
InChIInChI=1S/C18H18N2O2.2ClH/c21-13-6-7-14-15(10-13)17-18(22)19-8-9-20(17)11-16(14)12-4-2-1-3-5-12;;/h1-7,10,16-17,21H,8-9,11H2,(H,19,22);2*1H/t16-,17+;;/m1../s1
InChIKeyKSXSQUYPUHZJNO-LWPKXAGOSA-N
MW367.28 g/mol
LogP2.85
Rot. Bonds1

About (7R,11bS)-10-hydroxy-7-phenyl-2,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinolin-1-one;dihydrochloride

(7R,11bS)-10-hydroxy-7-phenyl-2,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinolin-1-one;dihydrochloride (PubChem CID 70381528) has the molecular formula C18H20Cl2N2O2 and a molecular weight of 367.28 g/mol. Its IUPAC name is (7R,11bS)-10-hydroxy-7-phenyl-2,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinolin-1-one;dihydrochloride.

Molecular Properties

Compound Name(7R,11bS)-10-hydroxy-7-phenyl-2,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinolin-1-one;dihydrochloride
PubChem CID70381528
Molecular FormulaC18H20Cl2N2O2
Molecular Weight367.28 g/mol
Exact Mass366.09
IUPAC Name(7R,11bS)-10-hydroxy-7-phenyl-2,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinolin-1-one;dihydrochloride
SMILESCl.Cl.O=C1NCCN2C[C@H](c3ccccc3)c3ccc(O)cc3[C@@H]12
InChIInChI=1S/C18H18N2O2.2ClH/c21-13-6-7-14-15(10-13)17-18(22)19-8-9-20(17)11-16(14)12-4-2-1-3-5-12;;/h1-7,10,16-17,21H,8-9,11H2,(H,19,22);2*1H/t16-,17+;;/m1../s1
InChIKeyKSXSQUYPUHZJNO-LWPKXAGOSA-N
XLogP2.85
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.28
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (7R,11bS)-10-hydroxy-7-phenyl-2,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinolin-1-one;dihydrochloride with MolForge

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Launch Full Analysis

Related Compounds

(7S,11bS)-10-methoxy-7-phenyl-2,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinolin-1-one;dihydrochloride
CID 70381516
(7S,11bR)-10-methoxy-7-phenyl-2,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinolin-1-one
CID 70381513
(7S,11bR)-7-phenyl-9-(trifluoromethyl)-2,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinolin-1-one;dihydrochloride
CID 70381022
(7S,11bR)-7-phenyl-9-(trifluoromethyl)-2,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinolin-1-one
CID 70381023
7-phenyl-2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]isoquinolin-10-ol;dihydrochloride
CID 21292058
(7S,11bS)-7-(4-chlorophenyl)-2,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinolin-1-one
CID 70381272
(7S,11bS)-8-(aminomethyl)-7-phenyl-2,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinolin-1-one;dihydrochloride
CID 70381856
(7S,11bR)-9-[ethyl(methyl)amino]-7-phenyl-2,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinolin-1-one
CID 70380885
2-methyl-7-phenyl-1,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinolin-10-ol
CID 21292086
7-(methoxymethyl)-2,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinolin-1-one
CID 70381044
3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol;hydrochloride
CID 45262761
(3S)-4-methyl-3-phenylpiperazin-2-one
CID 86327207

Frequently Asked Questions

What is the IUPAC name of (7R,11bS)-10-hydroxy-7-phenyl-2,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinolin-1-one;dihydrochloride?
The IUPAC name of (7R,11bS)-10-hydroxy-7-phenyl-2,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinolin-1-one;dihydrochloride (CID 70381528) is (7R,11bS)-10-hydroxy-7-phenyl-2,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinolin-1-one;dihydrochloride.
What is the SMILES notation for (7R,11bS)-10-hydroxy-7-phenyl-2,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinolin-1-one;dihydrochloride?
The canonical SMILES for (7R,11bS)-10-hydroxy-7-phenyl-2,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinolin-1-one;dihydrochloride is Cl.Cl.O=C1NCCN2C[C@H](c3ccccc3)c3ccc(O)cc3[C@@H]12.
What is the InChIKey of (7R,11bS)-10-hydroxy-7-phenyl-2,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinolin-1-one;dihydrochloride?
The InChIKey is KSXSQUYPUHZJNO-LWPKXAGOSA-N. The full InChI is InChI=1S/C18H18N2O2.2ClH/c21-13-6-7-14-15(10-13)17-18(22)19-8-9-20(17)11-16(14)12-4-2-1-3-5-12;;/h1-7,10,16-17,21H,8-9,11H2,(H,19,22);2*1H/t16-,17+;;/m1../s1.
What are the key properties of (7R,11bS)-10-hydroxy-7-phenyl-2,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinolin-1-one;dihydrochloride?
(7R,11bS)-10-hydroxy-7-phenyl-2,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinolin-1-one;dihydrochloride has a molecular weight of 367.28 g/mol, XLogP of 2.85, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7R,11bS)-10-hydroxy-7-phenyl-2,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinolin-1-one;dihydrochloride is sourced from PubChem (CID 70381528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).