5-(4-chlorophenyl)-3-(oxan-4-ylimino)-N-pyridin-3-ylphenazin-2-amine

C28H24ClN5O — CID 56592367

IUPAC5-(4-chlorophenyl)-3-(oxan-4-ylimino)-N-pyridin-3-ylphenazin-2-amine
SMILESClc1ccc(-n2c3c/c(=N\C4CCOCC4)c(Nc4cccnc4)cc-3nc3ccccc32)cc1
InChIInChI=1S/C28H24ClN5O/c29-19-7-9-22(10-8-19)34-27-6-2-1-5-23(27)33-26-16-24(32-21-4-3-13-30-18-21)25(17-28(26)34)31-20-11-14-35-15-12-20/h1-10,13,16-18,20,32H,11-12,14-15H2/b31-25+
InChIKeyPFSJHVUEJWRQSB-QCKNELIISA-N
MW481.99 g/mol
LogP6.00
Rot. Bonds4

About 5-(4-chlorophenyl)-3-(oxan-4-ylimino)-N-pyridin-3-ylphenazin-2-amine

5-(4-chlorophenyl)-3-(oxan-4-ylimino)-N-pyridin-3-ylphenazin-2-amine (PubChem CID 56592367) has the molecular formula C28H24ClN5O and a molecular weight of 481.99 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-3-(oxan-4-ylimino)-N-pyridin-3-ylphenazin-2-amine.

Molecular Properties

Compound Name5-(4-chlorophenyl)-3-(oxan-4-ylimino)-N-pyridin-3-ylphenazin-2-amine
PubChem CID56592367
Molecular FormulaC28H24ClN5O
Molecular Weight481.99 g/mol
Exact Mass481.17
IUPAC Name5-(4-chlorophenyl)-3-(oxan-4-ylimino)-N-pyridin-3-ylphenazin-2-amine
SMILESClc1ccc(-n2c3c/c(=N\C4CCOCC4)c(Nc4cccnc4)cc-3nc3ccccc32)cc1
InChIInChI=1S/C28H24ClN5O/c29-19-7-9-22(10-8-19)34-27-6-2-1-5-23(27)33-26-16-24(32-21-4-3-13-30-18-21)25(17-28(26)34)31-20-11-14-35-15-12-20/h1-10,13,16-18,20,32H,11-12,14-15H2/b31-25+
InChIKeyPFSJHVUEJWRQSB-QCKNELIISA-N
XLogP6.00
TPSA64.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.99
LogP ≤ 56.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 5-(4-chlorophenyl)-3-(oxan-4-ylimino)-N-pyridin-3-ylphenazin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-3-(oxan-4-ylimino)-N-pyridin-3-ylphenazin-2-amine?
The IUPAC name of 5-(4-chlorophenyl)-3-(oxan-4-ylimino)-N-pyridin-3-ylphenazin-2-amine (CID 56592367) is 5-(4-chlorophenyl)-3-(oxan-4-ylimino)-N-pyridin-3-ylphenazin-2-amine.
What is the SMILES notation for 5-(4-chlorophenyl)-3-(oxan-4-ylimino)-N-pyridin-3-ylphenazin-2-amine?
The canonical SMILES for 5-(4-chlorophenyl)-3-(oxan-4-ylimino)-N-pyridin-3-ylphenazin-2-amine is Clc1ccc(-n2c3c/c(=N\C4CCOCC4)c(Nc4cccnc4)cc-3nc3ccccc32)cc1.
What is the InChIKey of 5-(4-chlorophenyl)-3-(oxan-4-ylimino)-N-pyridin-3-ylphenazin-2-amine?
The InChIKey is PFSJHVUEJWRQSB-QCKNELIISA-N. The full InChI is InChI=1S/C28H24ClN5O/c29-19-7-9-22(10-8-19)34-27-6-2-1-5-23(27)33-26-16-24(32-21-4-3-13-30-18-21)25(17-28(26)34)31-20-11-14-35-15-12-20/h1-10,13,16-18,20,32H,11-12,14-15H2/b31-25+.
What are the key properties of 5-(4-chlorophenyl)-3-(oxan-4-ylimino)-N-pyridin-3-ylphenazin-2-amine?
5-(4-chlorophenyl)-3-(oxan-4-ylimino)-N-pyridin-3-ylphenazin-2-amine has a molecular weight of 481.99 g/mol, XLogP of 6.00, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-3-(oxan-4-ylimino)-N-pyridin-3-ylphenazin-2-amine is sourced from PubChem (CID 56592367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).