7-(4-chlorophenyl)-2-methyl-1,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinoline

C19H21ClN2 — CID 13457935

IUPAC7-(4-chlorophenyl)-2-methyl-1,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinoline
SMILESCN1CCN2CC(c3ccc(Cl)cc3)c3ccccc3C2C1
InChIInChI=1S/C19H21ClN2/c1-21-10-11-22-12-18(14-6-8-15(20)9-7-14)16-4-2-3-5-17(16)19(22)13-21/h2-9,18-19H,10-13H2,1H3
InChIKeyZCOWQICYITYASE-UHFFFAOYSA-N
MW312.84 g/mol
LogP3.77
Rot. Bonds1

About 7-(4-chlorophenyl)-2-methyl-1,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinoline

7-(4-chlorophenyl)-2-methyl-1,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinoline (PubChem CID 13457935) has the molecular formula C19H21ClN2 and a molecular weight of 312.84 g/mol. Its IUPAC name is 7-(4-chlorophenyl)-2-methyl-1,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinoline.

Molecular Properties

Compound Name7-(4-chlorophenyl)-2-methyl-1,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinoline
PubChem CID13457935
Molecular FormulaC19H21ClN2
Molecular Weight312.84 g/mol
Exact Mass312.14
IUPAC Name7-(4-chlorophenyl)-2-methyl-1,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinoline
SMILESCN1CCN2CC(c3ccc(Cl)cc3)c3ccccc3C2C1
InChIInChI=1S/C19H21ClN2/c1-21-10-11-22-12-18(14-6-8-15(20)9-7-14)16-4-2-3-5-17(16)19(22)13-21/h2-9,18-19H,10-13H2,1H3
InChIKeyZCOWQICYITYASE-UHFFFAOYSA-N
XLogP3.77
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.84
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Chlorcyclizine
CID 2710
Buclizine
CID 6729
Meclizine
CID 4034
Chlorcyclizine Hydrochloride
CID 62413
Norchlorcyclizine
CID 9340
Zicronapine
CID 11465618
Buclizine Hydrochloride
CID 65463
Meclozine Dihydrochloride
CID 64713
Meclizine Hydrochloride
CID 173612
Meclizine Monohydrochloride
CID 92303
Clocinizine
CID 5375618
Norchlorcyclizine, (-)-
CID 668697

Frequently Asked Questions

What is the IUPAC name of 7-(4-chlorophenyl)-2-methyl-1,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinoline?
The IUPAC name of 7-(4-chlorophenyl)-2-methyl-1,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinoline (CID 13457935) is 7-(4-chlorophenyl)-2-methyl-1,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinoline.
What is the SMILES notation for 7-(4-chlorophenyl)-2-methyl-1,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinoline?
The canonical SMILES for 7-(4-chlorophenyl)-2-methyl-1,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinoline is CN1CCN2CC(c3ccc(Cl)cc3)c3ccccc3C2C1.
What is the InChIKey of 7-(4-chlorophenyl)-2-methyl-1,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinoline?
The InChIKey is ZCOWQICYITYASE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2/c1-21-10-11-22-12-18(14-6-8-15(20)9-7-14)16-4-2-3-5-17(16)19(22)13-21/h2-9,18-19H,10-13H2,1H3.
What are the key properties of 7-(4-chlorophenyl)-2-methyl-1,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinoline?
7-(4-chlorophenyl)-2-methyl-1,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinoline has a molecular weight of 312.84 g/mol, XLogP of 3.77, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-chlorophenyl)-2-methyl-1,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinoline is sourced from PubChem (CID 13457935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).