6-(4-methylpiperazin-1-yl)benzo[k]phenanthridine

C22H21N3 — CID 10381797

IUPAC6-(4-methylpiperazin-1-yl)benzo[k]phenanthridine
SMILESCN1CCN(c2nc3ccccc3c3c2ccc2ccccc23)CC1
InChIInChI=1S/C22H21N3/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/h2-11H,12-15H2,1H3
InChIKeyASUOWQNSLNMXFU-UHFFFAOYSA-N
MW327.43 g/mol
LogP4.29
Rot. Bonds1

About 6-(4-methylpiperazin-1-yl)benzo[k]phenanthridine

6-(4-methylpiperazin-1-yl)benzo[k]phenanthridine (PubChem CID 10381797) has the molecular formula C22H21N3 and a molecular weight of 327.43 g/mol. Its IUPAC name is 6-(4-methylpiperazin-1-yl)benzo[k]phenanthridine.

Molecular Properties

Compound Name6-(4-methylpiperazin-1-yl)benzo[k]phenanthridine
PubChem CID10381797
Molecular FormulaC22H21N3
Molecular Weight327.43 g/mol
Exact Mass327.17
IUPAC Name6-(4-methylpiperazin-1-yl)benzo[k]phenanthridine
SMILESCN1CCN(c2nc3ccccc3c3c2ccc2ccccc23)CC1
InChIInChI=1S/C22H21N3/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/h2-11H,12-15H2,1H3
InChIKeyASUOWQNSLNMXFU-UHFFFAOYSA-N
XLogP4.29
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(4-methylpiperazin-1-yl)benzo[k]phenanthridine?
The IUPAC name of 6-(4-methylpiperazin-1-yl)benzo[k]phenanthridine (CID 10381797) is 6-(4-methylpiperazin-1-yl)benzo[k]phenanthridine.
What is the SMILES notation for 6-(4-methylpiperazin-1-yl)benzo[k]phenanthridine?
The canonical SMILES for 6-(4-methylpiperazin-1-yl)benzo[k]phenanthridine is CN1CCN(c2nc3ccccc3c3c2ccc2ccccc23)CC1.
What is the InChIKey of 6-(4-methylpiperazin-1-yl)benzo[k]phenanthridine?
The InChIKey is ASUOWQNSLNMXFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3/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/h2-11H,12-15H2,1H3.
What are the key properties of 6-(4-methylpiperazin-1-yl)benzo[k]phenanthridine?
6-(4-methylpiperazin-1-yl)benzo[k]phenanthridine has a molecular weight of 327.43 g/mol, XLogP of 4.29, 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)benzo[k]phenanthridine is sourced from PubChem (CID 10381797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).