4-(acridin-9-ylmethylamino)-2,6-dimethoxyphenol

C22H20N2O3 — CID 143288363

IUPAC4-(acridin-9-ylmethylamino)-2,6-dimethoxyphenol
SMILESCOc1cc(NCc2c3ccccc3nc3ccccc23)cc(OC)c1O
InChIInChI=1S/C22H20N2O3/c1-26-20-11-14(12-21(27-2)22(20)25)23-13-17-15-7-3-5-9-18(15)24-19-10-6-4-8-16(17)19/h3-12,23,25H,13H2,1-2H3
InChIKeyJZZYDMPJERJGEW-UHFFFAOYSA-N
MW360.41 g/mol
LogP4.72
Rot. Bonds5

About 4-(acridin-9-ylmethylamino)-2,6-dimethoxyphenol

4-(acridin-9-ylmethylamino)-2,6-dimethoxyphenol (PubChem CID 143288363) has the molecular formula C22H20N2O3 and a molecular weight of 360.41 g/mol. Its IUPAC name is 4-(acridin-9-ylmethylamino)-2,6-dimethoxyphenol.

Molecular Properties

Compound Name4-(acridin-9-ylmethylamino)-2,6-dimethoxyphenol
PubChem CID143288363
Molecular FormulaC22H20N2O3
Molecular Weight360.41 g/mol
Exact Mass360.15
IUPAC Name4-(acridin-9-ylmethylamino)-2,6-dimethoxyphenol
SMILESCOc1cc(NCc2c3ccccc3nc3ccccc23)cc(OC)c1O
InChIInChI=1S/C22H20N2O3/c1-26-20-11-14(12-21(27-2)22(20)25)23-13-17-15-7-3-5-9-18(15)24-19-10-6-4-8-16(17)19/h3-12,23,25H,13H2,1-2H3
InChIKeyJZZYDMPJERJGEW-UHFFFAOYSA-N
XLogP4.72
TPSA63.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(acridin-9-ylmethylamino)-2,6-dimethoxyphenol?
The IUPAC name of 4-(acridin-9-ylmethylamino)-2,6-dimethoxyphenol (CID 143288363) is 4-(acridin-9-ylmethylamino)-2,6-dimethoxyphenol.
What is the SMILES notation for 4-(acridin-9-ylmethylamino)-2,6-dimethoxyphenol?
The canonical SMILES for 4-(acridin-9-ylmethylamino)-2,6-dimethoxyphenol is COc1cc(NCc2c3ccccc3nc3ccccc23)cc(OC)c1O.
What is the InChIKey of 4-(acridin-9-ylmethylamino)-2,6-dimethoxyphenol?
The InChIKey is JZZYDMPJERJGEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O3/c1-26-20-11-14(12-21(27-2)22(20)25)23-13-17-15-7-3-5-9-18(15)24-19-10-6-4-8-16(17)19/h3-12,23,25H,13H2,1-2H3.
What are the key properties of 4-(acridin-9-ylmethylamino)-2,6-dimethoxyphenol?
4-(acridin-9-ylmethylamino)-2,6-dimethoxyphenol has a molecular weight of 360.41 g/mol, XLogP of 4.72, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(acridin-9-ylmethylamino)-2,6-dimethoxyphenol is sourced from PubChem (CID 143288363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).