7-methyl-3-[(4-methylpiperazin-1-yl)methyl]-1-phenyl-3,4-dihydroisoquinoline

C22H27N3 — CID 3068688

IUPAC7-methyl-3-[(4-methylpiperazin-1-yl)methyl]-1-phenyl-3,4-dihydroisoquinoline
SMILESCc1ccc2c(c1)C(c1ccccc1)=NC(CN1CCN(C)CC1)C2
InChIInChI=1S/C22H27N3/c1-17-8-9-19-15-20(16-25-12-10-24(2)11-13-25)23-22(21(19)14-17)18-6-4-3-5-7-18/h3-9,14,20H,10-13,15-16H2,1-2H3
InChIKeyGDJMVGLTXTUSFU-UHFFFAOYSA-N
MW333.48 g/mol
LogP3.00
Rot. Bonds3

About 7-methyl-3-[(4-methylpiperazin-1-yl)methyl]-1-phenyl-3,4-dihydroisoquinoline

7-methyl-3-[(4-methylpiperazin-1-yl)methyl]-1-phenyl-3,4-dihydroisoquinoline (PubChem CID 3068688) has the molecular formula C22H27N3 and a molecular weight of 333.48 g/mol. Its IUPAC name is 7-methyl-3-[(4-methylpiperazin-1-yl)methyl]-1-phenyl-3,4-dihydroisoquinoline.

Molecular Properties

Compound Name7-methyl-3-[(4-methylpiperazin-1-yl)methyl]-1-phenyl-3,4-dihydroisoquinoline
PubChem CID3068688
Molecular FormulaC22H27N3
Molecular Weight333.48 g/mol
Exact Mass333.22
IUPAC Name7-methyl-3-[(4-methylpiperazin-1-yl)methyl]-1-phenyl-3,4-dihydroisoquinoline
SMILESCc1ccc2c(c1)C(c1ccccc1)=NC(CN1CCN(C)CC1)C2
InChIInChI=1S/C22H27N3/c1-17-8-9-19-15-20(16-25-12-10-24(2)11-13-25)23-22(21(19)14-17)18-6-4-3-5-7-18/h3-9,14,20H,10-13,15-16H2,1-2H3
InChIKeyGDJMVGLTXTUSFU-UHFFFAOYSA-N
XLogP3.00
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-3-[(4-methylpiperazin-1-yl)methyl]-1-phenyl-3,4-dihydroisoquinoline?
The IUPAC name of 7-methyl-3-[(4-methylpiperazin-1-yl)methyl]-1-phenyl-3,4-dihydroisoquinoline (CID 3068688) is 7-methyl-3-[(4-methylpiperazin-1-yl)methyl]-1-phenyl-3,4-dihydroisoquinoline.
What is the SMILES notation for 7-methyl-3-[(4-methylpiperazin-1-yl)methyl]-1-phenyl-3,4-dihydroisoquinoline?
The canonical SMILES for 7-methyl-3-[(4-methylpiperazin-1-yl)methyl]-1-phenyl-3,4-dihydroisoquinoline is Cc1ccc2c(c1)C(c1ccccc1)=NC(CN1CCN(C)CC1)C2.
What is the InChIKey of 7-methyl-3-[(4-methylpiperazin-1-yl)methyl]-1-phenyl-3,4-dihydroisoquinoline?
The InChIKey is GDJMVGLTXTUSFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3/c1-17-8-9-19-15-20(16-25-12-10-24(2)11-13-25)23-22(21(19)14-17)18-6-4-3-5-7-18/h3-9,14,20H,10-13,15-16H2,1-2H3.
What are the key properties of 7-methyl-3-[(4-methylpiperazin-1-yl)methyl]-1-phenyl-3,4-dihydroisoquinoline?
7-methyl-3-[(4-methylpiperazin-1-yl)methyl]-1-phenyl-3,4-dihydroisoquinoline has a molecular weight of 333.48 g/mol, XLogP of 3.00, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-3-[(4-methylpiperazin-1-yl)methyl]-1-phenyl-3,4-dihydroisoquinoline is sourced from PubChem (CID 3068688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).