6-(4-methylpiperazin-1-yl)-7,8-dihydrobenzo[k]phenanthridine

C22H23N3 — CID 10381927

IUPAC6-(4-methylpiperazin-1-yl)-7,8-dihydrobenzo[k]phenanthridine
SMILESCN1CCN(c2nc3ccccc3c3c2CCc2ccccc2-3)CC1
InChIInChI=1S/C22H23N3/c1-24-12-14-25(15-13-24)22-19-11-10-16-6-2-3-7-17(16)21(19)18-8-4-5-9-20(18)23-22/h2-9H,10-15H2,1H3
InChIKeyXZWNYGIFEAIRIB-UHFFFAOYSA-N
MW329.45 g/mol
LogP3.75
Rot. Bonds1

About 6-(4-methylpiperazin-1-yl)-7,8-dihydrobenzo[k]phenanthridine

6-(4-methylpiperazin-1-yl)-7,8-dihydrobenzo[k]phenanthridine (PubChem CID 10381927) has the molecular formula C22H23N3 and a molecular weight of 329.45 g/mol. Its IUPAC name is 6-(4-methylpiperazin-1-yl)-7,8-dihydrobenzo[k]phenanthridine.

Molecular Properties

Compound Name6-(4-methylpiperazin-1-yl)-7,8-dihydrobenzo[k]phenanthridine
PubChem CID10381927
Molecular FormulaC22H23N3
Molecular Weight329.45 g/mol
Exact Mass329.19
IUPAC Name6-(4-methylpiperazin-1-yl)-7,8-dihydrobenzo[k]phenanthridine
SMILESCN1CCN(c2nc3ccccc3c3c2CCc2ccccc2-3)CC1
InChIInChI=1S/C22H23N3/c1-24-12-14-25(15-13-24)22-19-11-10-16-6-2-3-7-17(16)21(19)18-8-4-5-9-20(18)23-22/h2-9H,10-15H2,1H3
InChIKeyXZWNYGIFEAIRIB-UHFFFAOYSA-N
XLogP3.75
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.45
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 6-(4-methylpiperazin-1-yl)-7,8-dihydrobenzo[k]phenanthridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(4-methylpiperazin-1-yl)-7,8-dihydrobenzo[k]phenanthridine?
The IUPAC name of 6-(4-methylpiperazin-1-yl)-7,8-dihydrobenzo[k]phenanthridine (CID 10381927) is 6-(4-methylpiperazin-1-yl)-7,8-dihydrobenzo[k]phenanthridine.
What is the SMILES notation for 6-(4-methylpiperazin-1-yl)-7,8-dihydrobenzo[k]phenanthridine?
The canonical SMILES for 6-(4-methylpiperazin-1-yl)-7,8-dihydrobenzo[k]phenanthridine is CN1CCN(c2nc3ccccc3c3c2CCc2ccccc2-3)CC1.
What is the InChIKey of 6-(4-methylpiperazin-1-yl)-7,8-dihydrobenzo[k]phenanthridine?
The InChIKey is XZWNYGIFEAIRIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3/c1-24-12-14-25(15-13-24)22-19-11-10-16-6-2-3-7-17(16)21(19)18-8-4-5-9-20(18)23-22/h2-9H,10-15H2,1H3.
What are the key properties of 6-(4-methylpiperazin-1-yl)-7,8-dihydrobenzo[k]phenanthridine?
6-(4-methylpiperazin-1-yl)-7,8-dihydrobenzo[k]phenanthridine has a molecular weight of 329.45 g/mol, XLogP of 3.75, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylpiperazin-1-yl)-7,8-dihydrobenzo[k]phenanthridine is sourced from PubChem (CID 10381927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).