5-(4-chlorophenyl)-N-(6-methyl-3-pyridinyl)-3-(oxan-4-ylimino)phenazin-2-amine

C29H26ClN5O — CID 66805790

IUPAC5-(4-chlorophenyl)-N-(6-methyl-3-pyridinyl)-3-(oxan-4-ylimino)phenazin-2-amine
SMILESCc1ccc(Nc2cc3nc4ccccc4n(-c4ccc(Cl)cc4)c-3c/c2=N\C2CCOCC2)cn1
InChIInChI=1S/C29H26ClN5O/c1-19-6-9-22(18-31-19)33-25-16-27-29(17-26(25)32-21-12-14-36-15-13-21)35(23-10-7-20(30)8-11-23)28-5-3-2-4-24(28)34-27/h2-11,16-18,21,33H,12-15H2,1H3/b32-26+
InChIKeyHMDLCTKFWGRLLV-HMZBKAONSA-N
MW496.01 g/mol
LogP6.31
Rot. Bonds4

About 5-(4-chlorophenyl)-N-(6-methyl-3-pyridinyl)-3-(oxan-4-ylimino)phenazin-2-amine

5-(4-chlorophenyl)-N-(6-methyl-3-pyridinyl)-3-(oxan-4-ylimino)phenazin-2-amine (PubChem CID 66805790) has the molecular formula C29H26ClN5O and a molecular weight of 496.01 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-N-(6-methyl-3-pyridinyl)-3-(oxan-4-ylimino)phenazin-2-amine.

Molecular Properties

Compound Name5-(4-chlorophenyl)-N-(6-methyl-3-pyridinyl)-3-(oxan-4-ylimino)phenazin-2-amine
PubChem CID66805790
Molecular FormulaC29H26ClN5O
Molecular Weight496.01 g/mol
Exact Mass495.18
IUPAC Name5-(4-chlorophenyl)-N-(6-methyl-3-pyridinyl)-3-(oxan-4-ylimino)phenazin-2-amine
SMILESCc1ccc(Nc2cc3nc4ccccc4n(-c4ccc(Cl)cc4)c-3c/c2=N\C2CCOCC2)cn1
InChIInChI=1S/C29H26ClN5O/c1-19-6-9-22(18-31-19)33-25-16-27-29(17-26(25)32-21-12-14-36-15-13-21)35(23-10-7-20(30)8-11-23)28-5-3-2-4-24(28)34-27/h2-11,16-18,21,33H,12-15H2,1H3/b32-26+
InChIKeyHMDLCTKFWGRLLV-HMZBKAONSA-N
XLogP6.31
TPSA64.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.01
LogP ≤ 56.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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)-N-(6-methyl-3-pyridinyl)-3-(oxan-4-ylimino)phenazin-2-amine?
The IUPAC name of 5-(4-chlorophenyl)-N-(6-methyl-3-pyridinyl)-3-(oxan-4-ylimino)phenazin-2-amine (CID 66805790) is 5-(4-chlorophenyl)-N-(6-methyl-3-pyridinyl)-3-(oxan-4-ylimino)phenazin-2-amine.
What is the SMILES notation for 5-(4-chlorophenyl)-N-(6-methyl-3-pyridinyl)-3-(oxan-4-ylimino)phenazin-2-amine?
The canonical SMILES for 5-(4-chlorophenyl)-N-(6-methyl-3-pyridinyl)-3-(oxan-4-ylimino)phenazin-2-amine is Cc1ccc(Nc2cc3nc4ccccc4n(-c4ccc(Cl)cc4)c-3c/c2=N\C2CCOCC2)cn1.
What is the InChIKey of 5-(4-chlorophenyl)-N-(6-methyl-3-pyridinyl)-3-(oxan-4-ylimino)phenazin-2-amine?
The InChIKey is HMDLCTKFWGRLLV-HMZBKAONSA-N. The full InChI is InChI=1S/C29H26ClN5O/c1-19-6-9-22(18-31-19)33-25-16-27-29(17-26(25)32-21-12-14-36-15-13-21)35(23-10-7-20(30)8-11-23)28-5-3-2-4-24(28)34-27/h2-11,16-18,21,33H,12-15H2,1H3/b32-26+.
What are the key properties of 5-(4-chlorophenyl)-N-(6-methyl-3-pyridinyl)-3-(oxan-4-ylimino)phenazin-2-amine?
5-(4-chlorophenyl)-N-(6-methyl-3-pyridinyl)-3-(oxan-4-ylimino)phenazin-2-amine has a molecular weight of 496.01 g/mol, XLogP of 6.31, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-N-(6-methyl-3-pyridinyl)-3-(oxan-4-ylimino)phenazin-2-amine is sourced from PubChem (CID 66805790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).