5-(2,4-dichlorophenyl)-3-(4-methoxycyclohexyl)imino-N-(2-methyl-3-pyridinyl)phenazin-2-amine

C31H29Cl2N5O — CID 66805772

IUPAC5-(2,4-dichlorophenyl)-3-(4-methoxycyclohexyl)imino-N-(2-methyl-3-pyridinyl)phenazin-2-amine
SMILESCOC1CCC(/N=c2\cc3n(-c4ccc(Cl)cc4Cl)c4ccccc4nc-3cc2Nc2cccnc2C)CC1
InChIInChI=1S/C31H29Cl2N5O/c1-19-24(7-5-15-34-19)36-26-17-28-31(18-27(26)35-21-10-12-22(39-2)13-11-21)38(29-14-9-20(32)16-23(29)33)30-8-4-3-6-25(30)37-28/h3-9,14-18,21-22,36H,10-13H2,1-2H3/b35-27+
InChIKeyKXDPNFRRQLDDMR-ROMHNNFLSA-N
MW558.51 g/mol
LogP7.74
Rot. Bonds5

About 5-(2,4-dichlorophenyl)-3-(4-methoxycyclohexyl)imino-N-(2-methyl-3-pyridinyl)phenazin-2-amine

5-(2,4-dichlorophenyl)-3-(4-methoxycyclohexyl)imino-N-(2-methyl-3-pyridinyl)phenazin-2-amine (PubChem CID 66805772) has the molecular formula C31H29Cl2N5O and a molecular weight of 558.51 g/mol. Its IUPAC name is 5-(2,4-dichlorophenyl)-3-(4-methoxycyclohexyl)imino-N-(2-methyl-3-pyridinyl)phenazin-2-amine.

Molecular Properties

Compound Name5-(2,4-dichlorophenyl)-3-(4-methoxycyclohexyl)imino-N-(2-methyl-3-pyridinyl)phenazin-2-amine
PubChem CID66805772
Molecular FormulaC31H29Cl2N5O
Molecular Weight558.51 g/mol
Exact Mass557.17
IUPAC Name5-(2,4-dichlorophenyl)-3-(4-methoxycyclohexyl)imino-N-(2-methyl-3-pyridinyl)phenazin-2-amine
SMILESCOC1CCC(/N=c2\cc3n(-c4ccc(Cl)cc4Cl)c4ccccc4nc-3cc2Nc2cccnc2C)CC1
InChIInChI=1S/C31H29Cl2N5O/c1-19-24(7-5-15-34-19)36-26-17-28-31(18-27(26)35-21-10-12-22(39-2)13-11-21)38(29-14-9-20(32)16-23(29)33)30-8-4-3-6-25(30)37-28/h3-9,14-18,21-22,36H,10-13H2,1-2H3/b35-27+
InChIKeyKXDPNFRRQLDDMR-ROMHNNFLSA-N
XLogP7.74
TPSA64.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500558.51
LogP ≤ 57.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 5-(2,4-dichlorophenyl)-3-(4-methoxycyclohexyl)imino-N-(2-methyl-3-pyridinyl)phenazin-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-(2,4-dichlorophenyl)-3-(4-methoxycyclohexyl)imino-N-(2-methyl-3-pyridinyl)phenazin-2-amine?
The IUPAC name of 5-(2,4-dichlorophenyl)-3-(4-methoxycyclohexyl)imino-N-(2-methyl-3-pyridinyl)phenazin-2-amine (CID 66805772) is 5-(2,4-dichlorophenyl)-3-(4-methoxycyclohexyl)imino-N-(2-methyl-3-pyridinyl)phenazin-2-amine.
What is the SMILES notation for 5-(2,4-dichlorophenyl)-3-(4-methoxycyclohexyl)imino-N-(2-methyl-3-pyridinyl)phenazin-2-amine?
The canonical SMILES for 5-(2,4-dichlorophenyl)-3-(4-methoxycyclohexyl)imino-N-(2-methyl-3-pyridinyl)phenazin-2-amine is COC1CCC(/N=c2\cc3n(-c4ccc(Cl)cc4Cl)c4ccccc4nc-3cc2Nc2cccnc2C)CC1.
What is the InChIKey of 5-(2,4-dichlorophenyl)-3-(4-methoxycyclohexyl)imino-N-(2-methyl-3-pyridinyl)phenazin-2-amine?
The InChIKey is KXDPNFRRQLDDMR-ROMHNNFLSA-N. The full InChI is InChI=1S/C31H29Cl2N5O/c1-19-24(7-5-15-34-19)36-26-17-28-31(18-27(26)35-21-10-12-22(39-2)13-11-21)38(29-14-9-20(32)16-23(29)33)30-8-4-3-6-25(30)37-28/h3-9,14-18,21-22,36H,10-13H2,1-2H3/b35-27+.
What are the key properties of 5-(2,4-dichlorophenyl)-3-(4-methoxycyclohexyl)imino-N-(2-methyl-3-pyridinyl)phenazin-2-amine?
5-(2,4-dichlorophenyl)-3-(4-methoxycyclohexyl)imino-N-(2-methyl-3-pyridinyl)phenazin-2-amine has a molecular weight of 558.51 g/mol, XLogP of 7.74, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-dichlorophenyl)-3-(4-methoxycyclohexyl)imino-N-(2-methyl-3-pyridinyl)phenazin-2-amine is sourced from PubChem (CID 66805772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).