5-(4-chlorophenyl)-3-[2-(4-methylpiperazin-1-yl)ethylimino]-N-pyridin-3-ylphenazin-2-amine

C30H30ClN7 — CID 164623207

IUPAC5-(4-chlorophenyl)-3-[2-(4-methylpiperazin-1-yl)ethylimino]-N-pyridin-3-ylphenazin-2-amine
SMILESCN1CCN(CC/N=c2\cc3n(-c4ccc(Cl)cc4)c4ccccc4nc-3cc2Nc2cccnc2)CC1
InChIInChI=1S/C30H30ClN7/c1-36-15-17-37(18-16-36)14-13-33-26-20-30-28(19-27(26)34-23-5-4-12-32-21-23)35-25-6-2-3-7-29(25)38(30)24-10-8-22(31)9-11-24/h2-12,19-21,34H,13-18H2,1H3/b33-26+
InChIKeyCWLIDIXROOHEDP-MHTZHOPKSA-N
MW524.07 g/mol
LogP5.07
Rot. Bonds6

About 5-(4-chlorophenyl)-3-[2-(4-methylpiperazin-1-yl)ethylimino]-N-pyridin-3-ylphenazin-2-amine

5-(4-chlorophenyl)-3-[2-(4-methylpiperazin-1-yl)ethylimino]-N-pyridin-3-ylphenazin-2-amine (PubChem CID 164623207) has the molecular formula C30H30ClN7 and a molecular weight of 524.07 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-3-[2-(4-methylpiperazin-1-yl)ethylimino]-N-pyridin-3-ylphenazin-2-amine.

Molecular Properties

Compound Name5-(4-chlorophenyl)-3-[2-(4-methylpiperazin-1-yl)ethylimino]-N-pyridin-3-ylphenazin-2-amine
PubChem CID164623207
Molecular FormulaC30H30ClN7
Molecular Weight524.07 g/mol
Exact Mass523.23
IUPAC Name5-(4-chlorophenyl)-3-[2-(4-methylpiperazin-1-yl)ethylimino]-N-pyridin-3-ylphenazin-2-amine
SMILESCN1CCN(CC/N=c2\cc3n(-c4ccc(Cl)cc4)c4ccccc4nc-3cc2Nc2cccnc2)CC1
InChIInChI=1S/C30H30ClN7/c1-36-15-17-37(18-16-36)14-13-33-26-20-30-28(19-27(26)34-23-5-4-12-32-21-23)35-25-6-2-3-7-29(25)38(30)24-10-8-22(31)9-11-24/h2-12,19-21,34H,13-18H2,1H3/b33-26+
InChIKeyCWLIDIXROOHEDP-MHTZHOPKSA-N
XLogP5.07
TPSA61.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.07
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-3-[2-(4-methylpiperazin-1-yl)ethylimino]-N-pyridin-3-ylphenazin-2-amine?
The IUPAC name of 5-(4-chlorophenyl)-3-[2-(4-methylpiperazin-1-yl)ethylimino]-N-pyridin-3-ylphenazin-2-amine (CID 164623207) is 5-(4-chlorophenyl)-3-[2-(4-methylpiperazin-1-yl)ethylimino]-N-pyridin-3-ylphenazin-2-amine.
What is the SMILES notation for 5-(4-chlorophenyl)-3-[2-(4-methylpiperazin-1-yl)ethylimino]-N-pyridin-3-ylphenazin-2-amine?
The canonical SMILES for 5-(4-chlorophenyl)-3-[2-(4-methylpiperazin-1-yl)ethylimino]-N-pyridin-3-ylphenazin-2-amine is CN1CCN(CC/N=c2\cc3n(-c4ccc(Cl)cc4)c4ccccc4nc-3cc2Nc2cccnc2)CC1.
What is the InChIKey of 5-(4-chlorophenyl)-3-[2-(4-methylpiperazin-1-yl)ethylimino]-N-pyridin-3-ylphenazin-2-amine?
The InChIKey is CWLIDIXROOHEDP-MHTZHOPKSA-N. The full InChI is InChI=1S/C30H30ClN7/c1-36-15-17-37(18-16-36)14-13-33-26-20-30-28(19-27(26)34-23-5-4-12-32-21-23)35-25-6-2-3-7-29(25)38(30)24-10-8-22(31)9-11-24/h2-12,19-21,34H,13-18H2,1H3/b33-26+.
What are the key properties of 5-(4-chlorophenyl)-3-[2-(4-methylpiperazin-1-yl)ethylimino]-N-pyridin-3-ylphenazin-2-amine?
5-(4-chlorophenyl)-3-[2-(4-methylpiperazin-1-yl)ethylimino]-N-pyridin-3-ylphenazin-2-amine has a molecular weight of 524.07 g/mol, XLogP of 5.07, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-3-[2-(4-methylpiperazin-1-yl)ethylimino]-N-pyridin-3-ylphenazin-2-amine is sourced from PubChem (CID 164623207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).