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

C23H25N3 — CID 10450144

IUPAC6-(4-ethylpiperazin-1-yl)-7,8-dihydrobenzo[k]phenanthridine
SMILESCCN1CCN(c2nc3ccccc3c3c2CCc2ccccc2-3)CC1
InChIInChI=1S/C23H25N3/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/h3-10H,2,11-16H2,1H3
InChIKeyFOKZGYOWEMIREU-UHFFFAOYSA-N
MW343.47 g/mol
LogP4.14
Rot. Bonds2

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

6-(4-ethylpiperazin-1-yl)-7,8-dihydrobenzo[k]phenanthridine (PubChem CID 10450144) has the molecular formula C23H25N3 and a molecular weight of 343.47 g/mol. Its IUPAC name is 6-(4-ethylpiperazin-1-yl)-7,8-dihydrobenzo[k]phenanthridine.

Molecular Properties

Compound Name6-(4-ethylpiperazin-1-yl)-7,8-dihydrobenzo[k]phenanthridine
PubChem CID10450144
Molecular FormulaC23H25N3
Molecular Weight343.47 g/mol
Exact Mass343.20
IUPAC Name6-(4-ethylpiperazin-1-yl)-7,8-dihydrobenzo[k]phenanthridine
SMILESCCN1CCN(c2nc3ccccc3c3c2CCc2ccccc2-3)CC1
InChIInChI=1S/C23H25N3/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/h3-10H,2,11-16H2,1H3
InChIKeyFOKZGYOWEMIREU-UHFFFAOYSA-N
XLogP4.14
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(4-ethylpiperazin-1-yl)-7,8-dihydrobenzo[k]phenanthridine?
The IUPAC name of 6-(4-ethylpiperazin-1-yl)-7,8-dihydrobenzo[k]phenanthridine (CID 10450144) is 6-(4-ethylpiperazin-1-yl)-7,8-dihydrobenzo[k]phenanthridine.
What is the SMILES notation for 6-(4-ethylpiperazin-1-yl)-7,8-dihydrobenzo[k]phenanthridine?
The canonical SMILES for 6-(4-ethylpiperazin-1-yl)-7,8-dihydrobenzo[k]phenanthridine is CCN1CCN(c2nc3ccccc3c3c2CCc2ccccc2-3)CC1.
What is the InChIKey of 6-(4-ethylpiperazin-1-yl)-7,8-dihydrobenzo[k]phenanthridine?
The InChIKey is FOKZGYOWEMIREU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3/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/h3-10H,2,11-16H2,1H3.
What are the key properties of 6-(4-ethylpiperazin-1-yl)-7,8-dihydrobenzo[k]phenanthridine?
6-(4-ethylpiperazin-1-yl)-7,8-dihydrobenzo[k]phenanthridine has a molecular weight of 343.47 g/mol, XLogP of 4.14, 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)-7,8-dihydrobenzo[k]phenanthridine is sourced from PubChem (CID 10450144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).