1-isoquinolin-1-yl-N-(4-methylpiperazin-1-yl)-1-phenylmethanimine

C21H22N4 — CID 23763981

IUPAC1-isoquinolin-1-yl-N-(4-methylpiperazin-1-yl)-1-phenylmethanimine
SMILESCN1CCN(N=C(c2ccccc2)c2nccc3ccccc23)CC1
InChIInChI=1S/C21H22N4/c1-24-13-15-25(16-14-24)23-20(18-8-3-2-4-9-18)21-19-10-6-5-7-17(19)11-12-22-21/h2-12H,13-16H2,1H3
InChIKeyWLUMUCIYMPSBQY-UHFFFAOYSA-N
MW330.44 g/mol
LogP3.23
Rot. Bonds3

About 1-isoquinolin-1-yl-N-(4-methylpiperazin-1-yl)-1-phenylmethanimine

1-isoquinolin-1-yl-N-(4-methylpiperazin-1-yl)-1-phenylmethanimine (PubChem CID 23763981) has the molecular formula C21H22N4 and a molecular weight of 330.44 g/mol. Its IUPAC name is 1-isoquinolin-1-yl-N-(4-methylpiperazin-1-yl)-1-phenylmethanimine.

Molecular Properties

Compound Name1-isoquinolin-1-yl-N-(4-methylpiperazin-1-yl)-1-phenylmethanimine
PubChem CID23763981
Molecular FormulaC21H22N4
Molecular Weight330.44 g/mol
Exact Mass330.18
IUPAC Name1-isoquinolin-1-yl-N-(4-methylpiperazin-1-yl)-1-phenylmethanimine
SMILESCN1CCN(N=C(c2ccccc2)c2nccc3ccccc23)CC1
InChIInChI=1S/C21H22N4/c1-24-13-15-25(16-14-24)23-20(18-8-3-2-4-9-18)21-19-10-6-5-7-17(19)11-12-22-21/h2-12H,13-16H2,1H3
InChIKeyWLUMUCIYMPSBQY-UHFFFAOYSA-N
XLogP3.23
TPSA31.73 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.44
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-isoquinolin-1-yl-N-(4-methylpiperazin-1-yl)-1-phenylmethanimine?
The IUPAC name of 1-isoquinolin-1-yl-N-(4-methylpiperazin-1-yl)-1-phenylmethanimine (CID 23763981) is 1-isoquinolin-1-yl-N-(4-methylpiperazin-1-yl)-1-phenylmethanimine.
What is the SMILES notation for 1-isoquinolin-1-yl-N-(4-methylpiperazin-1-yl)-1-phenylmethanimine?
The canonical SMILES for 1-isoquinolin-1-yl-N-(4-methylpiperazin-1-yl)-1-phenylmethanimine is CN1CCN(N=C(c2ccccc2)c2nccc3ccccc23)CC1.
What is the InChIKey of 1-isoquinolin-1-yl-N-(4-methylpiperazin-1-yl)-1-phenylmethanimine?
The InChIKey is WLUMUCIYMPSBQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4/c1-24-13-15-25(16-14-24)23-20(18-8-3-2-4-9-18)21-19-10-6-5-7-17(19)11-12-22-21/h2-12H,13-16H2,1H3.
What are the key properties of 1-isoquinolin-1-yl-N-(4-methylpiperazin-1-yl)-1-phenylmethanimine?
1-isoquinolin-1-yl-N-(4-methylpiperazin-1-yl)-1-phenylmethanimine has a molecular weight of 330.44 g/mol, XLogP of 3.23, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-isoquinolin-1-yl-N-(4-methylpiperazin-1-yl)-1-phenylmethanimine is sourced from PubChem (CID 23763981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).