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

C23H23N3 — CID 10315280

IUPAC6-(4-ethylpiperazin-1-yl)benzo[k]phenanthridine
SMILESCCN1CCN(c2nc3ccccc3c3c2ccc2ccccc23)CC1
InChIInChI=1S/C23H23N3/c1-2-25-13-15-26(16-14-25)23-20-12-11-17-7-3-4-8-18(17)22(20)19-9-5-6-10-21(19)24-23/h3-12H,2,13-16H2,1H3
InChIKeyQQLQEBGSTABMQS-UHFFFAOYSA-N
MW341.46 g/mol
LogP4.68
Rot. Bonds2

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

6-(4-ethylpiperazin-1-yl)benzo[k]phenanthridine (PubChem CID 10315280) has the molecular formula C23H23N3 and a molecular weight of 341.46 g/mol. Its IUPAC name is 6-(4-ethylpiperazin-1-yl)benzo[k]phenanthridine.

Molecular Properties

Compound Name6-(4-ethylpiperazin-1-yl)benzo[k]phenanthridine
PubChem CID10315280
Molecular FormulaC23H23N3
Molecular Weight341.46 g/mol
Exact Mass341.19
IUPAC Name6-(4-ethylpiperazin-1-yl)benzo[k]phenanthridine
SMILESCCN1CCN(c2nc3ccccc3c3c2ccc2ccccc23)CC1
InChIInChI=1S/C23H23N3/c1-2-25-13-15-26(16-14-25)23-20-12-11-17-7-3-4-8-18(17)22(20)19-9-5-6-10-21(19)24-23/h3-12H,2,13-16H2,1H3
InChIKeyQQLQEBGSTABMQS-UHFFFAOYSA-N
XLogP4.68
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 54.68
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-ethylpiperazin-1-yl)benzo[k]phenanthridine?
The IUPAC name of 6-(4-ethylpiperazin-1-yl)benzo[k]phenanthridine (CID 10315280) is 6-(4-ethylpiperazin-1-yl)benzo[k]phenanthridine.
What is the SMILES notation for 6-(4-ethylpiperazin-1-yl)benzo[k]phenanthridine?
The canonical SMILES for 6-(4-ethylpiperazin-1-yl)benzo[k]phenanthridine is CCN1CCN(c2nc3ccccc3c3c2ccc2ccccc23)CC1.
What is the InChIKey of 6-(4-ethylpiperazin-1-yl)benzo[k]phenanthridine?
The InChIKey is QQLQEBGSTABMQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3/c1-2-25-13-15-26(16-14-25)23-20-12-11-17-7-3-4-8-18(17)22(20)19-9-5-6-10-21(19)24-23/h3-12H,2,13-16H2,1H3.
What are the key properties of 6-(4-ethylpiperazin-1-yl)benzo[k]phenanthridine?
6-(4-ethylpiperazin-1-yl)benzo[k]phenanthridine has a molecular weight of 341.46 g/mol, XLogP of 4.68, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-ethylpiperazin-1-yl)benzo[k]phenanthridine is sourced from PubChem (CID 10315280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).