2-methoxyacridin-9-amine

C14H12N2O — CID 18867

IUPAC2-methoxyacridin-9-amine
SMILESCOc1ccc2nc3ccccc3c(N)c2c1
InChIInChI=1S/C14H12N2O/c1-17-9-6-7-13-11(8-9)14(15)10-4-2-3-5-12(10)16-13/h2-8H,1H3,(H2,15,16)
InChIKeyMPQHRPVQJUEINF-UHFFFAOYSA-N
MW224.26 g/mol
LogP2.98
Rot. Bonds1

About 2-methoxyacridin-9-amine

2-methoxyacridin-9-amine (PubChem CID 18867) has the molecular formula C14H12N2O and a molecular weight of 224.26 g/mol. Its IUPAC name is 2-methoxyacridin-9-amine.

Molecular Properties

Compound Name2-methoxyacridin-9-amine
PubChem CID18867
Molecular FormulaC14H12N2O
Molecular Weight224.26 g/mol
Exact Mass224.09
IUPAC Name2-methoxyacridin-9-amine
SMILESCOc1ccc2nc3ccccc3c(N)c2c1
InChIInChI=1S/C14H12N2O/c1-17-9-6-7-13-11(8-9)14(15)10-4-2-3-5-12(10)16-13/h2-8H,1H3,(H2,15,16)
InChIKeyMPQHRPVQJUEINF-UHFFFAOYSA-N
XLogP2.98
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'amino_acridine_A(46)', '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 2-methoxyacridin-9-amine?
The IUPAC name of 2-methoxyacridin-9-amine (CID 18867) is 2-methoxyacridin-9-amine.
What is the SMILES notation for 2-methoxyacridin-9-amine?
The canonical SMILES for 2-methoxyacridin-9-amine is COc1ccc2nc3ccccc3c(N)c2c1.
What is the InChIKey of 2-methoxyacridin-9-amine?
The InChIKey is MPQHRPVQJUEINF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O/c1-17-9-6-7-13-11(8-9)14(15)10-4-2-3-5-12(10)16-13/h2-8H,1H3,(H2,15,16).
What are the key properties of 2-methoxyacridin-9-amine?
2-methoxyacridin-9-amine has a molecular weight of 224.26 g/mol, XLogP of 2.98, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyacridin-9-amine is sourced from PubChem (CID 18867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).