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

C23H23N3O — CID 10428426

IUPAC8-methoxy-6-(4-methylpiperazin-1-yl)benzo[k]phenanthridine
SMILESCOc1cc2c(N3CCN(C)CC3)nc3ccccc3c2c2ccccc12
InChIInChI=1S/C23H23N3O/c1-25-11-13-26(14-12-25)23-19-15-21(27-2)16-7-3-4-8-17(16)22(19)18-9-5-6-10-20(18)24-23/h3-10,15H,11-14H2,1-2H3
InChIKeyLDPNVJBXUQDGFQ-UHFFFAOYSA-N
MW357.46 g/mol
LogP4.30
Rot. Bonds2

About 8-methoxy-6-(4-methylpiperazin-1-yl)benzo[k]phenanthridine

8-methoxy-6-(4-methylpiperazin-1-yl)benzo[k]phenanthridine (PubChem CID 10428426) has the molecular formula C23H23N3O and a molecular weight of 357.46 g/mol. Its IUPAC name is 8-methoxy-6-(4-methylpiperazin-1-yl)benzo[k]phenanthridine.

Molecular Properties

Compound Name8-methoxy-6-(4-methylpiperazin-1-yl)benzo[k]phenanthridine
PubChem CID10428426
Molecular FormulaC23H23N3O
Molecular Weight357.46 g/mol
Exact Mass357.18
IUPAC Name8-methoxy-6-(4-methylpiperazin-1-yl)benzo[k]phenanthridine
SMILESCOc1cc2c(N3CCN(C)CC3)nc3ccccc3c2c2ccccc12
InChIInChI=1S/C23H23N3O/c1-25-11-13-26(14-12-25)23-19-15-21(27-2)16-7-3-4-8-17(16)22(19)18-9-5-6-10-20(18)24-23/h3-10,15H,11-14H2,1-2H3
InChIKeyLDPNVJBXUQDGFQ-UHFFFAOYSA-N
XLogP4.30
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 8-methoxy-6-(4-methylpiperazin-1-yl)benzo[k]phenanthridine?
The IUPAC name of 8-methoxy-6-(4-methylpiperazin-1-yl)benzo[k]phenanthridine (CID 10428426) is 8-methoxy-6-(4-methylpiperazin-1-yl)benzo[k]phenanthridine.
What is the SMILES notation for 8-methoxy-6-(4-methylpiperazin-1-yl)benzo[k]phenanthridine?
The canonical SMILES for 8-methoxy-6-(4-methylpiperazin-1-yl)benzo[k]phenanthridine is COc1cc2c(N3CCN(C)CC3)nc3ccccc3c2c2ccccc12.
What is the InChIKey of 8-methoxy-6-(4-methylpiperazin-1-yl)benzo[k]phenanthridine?
The InChIKey is LDPNVJBXUQDGFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O/c1-25-11-13-26(14-12-25)23-19-15-21(27-2)16-7-3-4-8-17(16)22(19)18-9-5-6-10-20(18)24-23/h3-10,15H,11-14H2,1-2H3.
What are the key properties of 8-methoxy-6-(4-methylpiperazin-1-yl)benzo[k]phenanthridine?
8-methoxy-6-(4-methylpiperazin-1-yl)benzo[k]phenanthridine has a molecular weight of 357.46 g/mol, XLogP of 4.30, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-6-(4-methylpiperazin-1-yl)benzo[k]phenanthridine is sourced from PubChem (CID 10428426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).