1-(4-ethylpiperazin-1-yl)-6-methyl-3-phenylisoquinoline;hydrochloride

C22H26ClN3 — CID 45262276

IUPAC1-(4-ethylpiperazin-1-yl)-6-methyl-3-phenylisoquinoline;hydrochloride
SMILESCCN1CCN(c2nc(-c3ccccc3)cc3cc(C)ccc23)CC1.Cl
InChIInChI=1S/C22H25N3.ClH/c1-3-24-11-13-25(14-12-24)22-20-10-9-17(2)15-19(20)16-21(23-22)18-7-5-4-6-8-18;/h4-10,15-16H,3,11-14H2,1-2H3;1H
InChIKeyDEQQVROWMYBGGD-UHFFFAOYSA-N
MW367.92 g/mol
LogP4.77
Rot. Bonds3

About 1-(4-ethylpiperazin-1-yl)-6-methyl-3-phenylisoquinoline;hydrochloride

1-(4-ethylpiperazin-1-yl)-6-methyl-3-phenylisoquinoline;hydrochloride (PubChem CID 45262276) has the molecular formula C22H26ClN3 and a molecular weight of 367.92 g/mol. Its IUPAC name is 1-(4-ethylpiperazin-1-yl)-6-methyl-3-phenylisoquinoline;hydrochloride.

Molecular Properties

Compound Name1-(4-ethylpiperazin-1-yl)-6-methyl-3-phenylisoquinoline;hydrochloride
PubChem CID45262276
Molecular FormulaC22H26ClN3
Molecular Weight367.92 g/mol
Exact Mass367.18
IUPAC Name1-(4-ethylpiperazin-1-yl)-6-methyl-3-phenylisoquinoline;hydrochloride
SMILESCCN1CCN(c2nc(-c3ccccc3)cc3cc(C)ccc23)CC1.Cl
InChIInChI=1S/C22H25N3.ClH/c1-3-24-11-13-25(14-12-24)22-20-10-9-17(2)15-19(20)16-21(23-22)18-7-5-4-6-8-18;/h4-10,15-16H,3,11-14H2,1-2H3;1H
InChIKeyDEQQVROWMYBGGD-UHFFFAOYSA-N
XLogP4.77
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.92
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylpiperazin-1-yl)-6-methyl-3-phenylisoquinoline;hydrochloride?
The IUPAC name of 1-(4-ethylpiperazin-1-yl)-6-methyl-3-phenylisoquinoline;hydrochloride (CID 45262276) is 1-(4-ethylpiperazin-1-yl)-6-methyl-3-phenylisoquinoline;hydrochloride.
What is the SMILES notation for 1-(4-ethylpiperazin-1-yl)-6-methyl-3-phenylisoquinoline;hydrochloride?
The canonical SMILES for 1-(4-ethylpiperazin-1-yl)-6-methyl-3-phenylisoquinoline;hydrochloride is CCN1CCN(c2nc(-c3ccccc3)cc3cc(C)ccc23)CC1.Cl.
What is the InChIKey of 1-(4-ethylpiperazin-1-yl)-6-methyl-3-phenylisoquinoline;hydrochloride?
The InChIKey is DEQQVROWMYBGGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3.ClH/c1-3-24-11-13-25(14-12-24)22-20-10-9-17(2)15-19(20)16-21(23-22)18-7-5-4-6-8-18;/h4-10,15-16H,3,11-14H2,1-2H3;1H.
What are the key properties of 1-(4-ethylpiperazin-1-yl)-6-methyl-3-phenylisoquinoline;hydrochloride?
1-(4-ethylpiperazin-1-yl)-6-methyl-3-phenylisoquinoline;hydrochloride has a molecular weight of 367.92 g/mol, XLogP of 4.77, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylpiperazin-1-yl)-6-methyl-3-phenylisoquinoline;hydrochloride is sourced from PubChem (CID 45262276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).