2-(4-methoxy-5-methyl-10-pyridin-2-ylphenazin-2-yl)-5-propan-2-ylquinolin-8-ol

C31H28N4O2 — CID 171579824

IUPAC2-(4-methoxy-5-methyl-10-pyridin-2-ylphenazin-2-yl)-5-propan-2-ylquinolin-8-ol
SMILESCOc1cc(-c2ccc3c(C(C)C)ccc(O)c3n2)cc2c1N(C)c1ccccc1N2c1ccccn1
InChIInChI=1S/C31H28N4O2/c1-19(2)21-13-15-27(36)30-22(21)12-14-23(33-30)20-17-26-31(28(18-20)37-4)34(3)24-9-5-6-10-25(24)35(26)29-11-7-8-16-32-29/h5-19,36H,1-4H3
InChIKeyFLEXNCCTGXFBMY-UHFFFAOYSA-N
MW488.59 g/mol
LogP7.69
Rot. Bonds4

About 2-(4-methoxy-5-methyl-10-pyridin-2-ylphenazin-2-yl)-5-propan-2-ylquinolin-8-ol

2-(4-methoxy-5-methyl-10-pyridin-2-ylphenazin-2-yl)-5-propan-2-ylquinolin-8-ol (PubChem CID 171579824) has the molecular formula C31H28N4O2 and a molecular weight of 488.59 g/mol. Its IUPAC name is 2-(4-methoxy-5-methyl-10-pyridin-2-ylphenazin-2-yl)-5-propan-2-ylquinolin-8-ol.

Molecular Properties

Compound Name2-(4-methoxy-5-methyl-10-pyridin-2-ylphenazin-2-yl)-5-propan-2-ylquinolin-8-ol
PubChem CID171579824
Molecular FormulaC31H28N4O2
Molecular Weight488.59 g/mol
Exact Mass488.22
IUPAC Name2-(4-methoxy-5-methyl-10-pyridin-2-ylphenazin-2-yl)-5-propan-2-ylquinolin-8-ol
SMILESCOc1cc(-c2ccc3c(C(C)C)ccc(O)c3n2)cc2c1N(C)c1ccccc1N2c1ccccn1
InChIInChI=1S/C31H28N4O2/c1-19(2)21-13-15-27(36)30-22(21)12-14-23(33-30)20-17-26-31(28(18-20)37-4)34(3)24-9-5-6-10-25(24)35(26)29-11-7-8-16-32-29/h5-19,36H,1-4H3
InChIKeyFLEXNCCTGXFBMY-UHFFFAOYSA-N
XLogP7.69
TPSA61.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms37
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.59
LogP ≤ 57.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-5-methyl-10-pyridin-2-ylphenazin-2-yl)-5-propan-2-ylquinolin-8-ol?
The IUPAC name of 2-(4-methoxy-5-methyl-10-pyridin-2-ylphenazin-2-yl)-5-propan-2-ylquinolin-8-ol (CID 171579824) is 2-(4-methoxy-5-methyl-10-pyridin-2-ylphenazin-2-yl)-5-propan-2-ylquinolin-8-ol.
What is the SMILES notation for 2-(4-methoxy-5-methyl-10-pyridin-2-ylphenazin-2-yl)-5-propan-2-ylquinolin-8-ol?
The canonical SMILES for 2-(4-methoxy-5-methyl-10-pyridin-2-ylphenazin-2-yl)-5-propan-2-ylquinolin-8-ol is COc1cc(-c2ccc3c(C(C)C)ccc(O)c3n2)cc2c1N(C)c1ccccc1N2c1ccccn1.
What is the InChIKey of 2-(4-methoxy-5-methyl-10-pyridin-2-ylphenazin-2-yl)-5-propan-2-ylquinolin-8-ol?
The InChIKey is FLEXNCCTGXFBMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H28N4O2/c1-19(2)21-13-15-27(36)30-22(21)12-14-23(33-30)20-17-26-31(28(18-20)37-4)34(3)24-9-5-6-10-25(24)35(26)29-11-7-8-16-32-29/h5-19,36H,1-4H3.
What are the key properties of 2-(4-methoxy-5-methyl-10-pyridin-2-ylphenazin-2-yl)-5-propan-2-ylquinolin-8-ol?
2-(4-methoxy-5-methyl-10-pyridin-2-ylphenazin-2-yl)-5-propan-2-ylquinolin-8-ol has a molecular weight of 488.59 g/mol, XLogP of 7.69, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-5-methyl-10-pyridin-2-ylphenazin-2-yl)-5-propan-2-ylquinolin-8-ol is sourced from PubChem (CID 171579824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).