N-(2-imidazol-1-ylethyl)-4-methoxyacridin-9-amine

C19H18N4O — CID 45482971

IUPACN-(2-imidazol-1-ylethyl)-4-methoxyacridin-9-amine
SMILESCOc1cccc2c(NCCn3ccnc3)c3ccccc3nc12
InChIInChI=1S/C19H18N4O/c1-24-17-8-4-6-15-18(21-10-12-23-11-9-20-13-23)14-5-2-3-7-16(14)22-19(15)17/h2-9,11,13H,10,12H2,1H3,(H,21,22)
InChIKeyRWCFWMDDOHHOQL-UHFFFAOYSA-N
MW318.38 g/mol
LogP3.71
Rot. Bonds5

About N-(2-imidazol-1-ylethyl)-4-methoxyacridin-9-amine

N-(2-imidazol-1-ylethyl)-4-methoxyacridin-9-amine (PubChem CID 45482971) has the molecular formula C19H18N4O and a molecular weight of 318.38 g/mol. Its IUPAC name is N-(2-imidazol-1-ylethyl)-4-methoxyacridin-9-amine.

Molecular Properties

Compound NameN-(2-imidazol-1-ylethyl)-4-methoxyacridin-9-amine
PubChem CID45482971
Molecular FormulaC19H18N4O
Molecular Weight318.38 g/mol
Exact Mass318.15
IUPAC NameN-(2-imidazol-1-ylethyl)-4-methoxyacridin-9-amine
SMILESCOc1cccc2c(NCCn3ccnc3)c3ccccc3nc12
InChIInChI=1S/C19H18N4O/c1-24-17-8-4-6-15-18(21-10-12-23-11-9-20-13-23)14-5-2-3-7-16(14)22-19(15)17/h2-9,11,13H,10,12H2,1H3,(H,21,22)
InChIKeyRWCFWMDDOHHOQL-UHFFFAOYSA-N
XLogP3.71
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 N-(2-imidazol-1-ylethyl)-4-methoxyacridin-9-amine?
The IUPAC name of N-(2-imidazol-1-ylethyl)-4-methoxyacridin-9-amine (CID 45482971) is N-(2-imidazol-1-ylethyl)-4-methoxyacridin-9-amine.
What is the SMILES notation for N-(2-imidazol-1-ylethyl)-4-methoxyacridin-9-amine?
The canonical SMILES for N-(2-imidazol-1-ylethyl)-4-methoxyacridin-9-amine is COc1cccc2c(NCCn3ccnc3)c3ccccc3nc12.
What is the InChIKey of N-(2-imidazol-1-ylethyl)-4-methoxyacridin-9-amine?
The InChIKey is RWCFWMDDOHHOQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O/c1-24-17-8-4-6-15-18(21-10-12-23-11-9-20-13-23)14-5-2-3-7-16(14)22-19(15)17/h2-9,11,13H,10,12H2,1H3,(H,21,22).
What are the key properties of N-(2-imidazol-1-ylethyl)-4-methoxyacridin-9-amine?
N-(2-imidazol-1-ylethyl)-4-methoxyacridin-9-amine has a molecular weight of 318.38 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-imidazol-1-ylethyl)-4-methoxyacridin-9-amine is sourced from PubChem (CID 45482971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).