1-ethyl-2-methylimidazo[4,5-b]acridine

C17H15N3 — CID 89386327

IUPAC1-ethyl-2-methylimidazo[4,5-b]acridine
SMILESCCn1c(C)nc2cc3nc4ccccc4cc3cc21
InChIInChI=1S/C17H15N3/c1-3-20-11(2)18-16-10-15-13(9-17(16)20)8-12-6-4-5-7-14(12)19-15/h4-10H,3H2,1-2H3
InChIKeyXFUIMDWWTPBLPR-UHFFFAOYSA-N
MW261.33 g/mol
LogP4.07
Rot. Bonds1

About 1-ethyl-2-methylimidazo[4,5-b]acridine

1-ethyl-2-methylimidazo[4,5-b]acridine (PubChem CID 89386327) has the molecular formula C17H15N3 and a molecular weight of 261.33 g/mol. Its IUPAC name is 1-ethyl-2-methylimidazo[4,5-b]acridine.

Molecular Properties

Compound Name1-ethyl-2-methylimidazo[4,5-b]acridine
PubChem CID89386327
Molecular FormulaC17H15N3
Molecular Weight261.33 g/mol
Exact Mass261.13
IUPAC Name1-ethyl-2-methylimidazo[4,5-b]acridine
SMILESCCn1c(C)nc2cc3nc4ccccc4cc3cc21
InChIInChI=1S/C17H15N3/c1-3-20-11(2)18-16-10-15-13(9-17(16)20)8-12-6-4-5-7-14(12)19-15/h4-10H,3H2,1-2H3
InChIKeyXFUIMDWWTPBLPR-UHFFFAOYSA-N
XLogP4.07
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-methylimidazo[4,5-b]acridine?
The IUPAC name of 1-ethyl-2-methylimidazo[4,5-b]acridine (CID 89386327) is 1-ethyl-2-methylimidazo[4,5-b]acridine.
What is the SMILES notation for 1-ethyl-2-methylimidazo[4,5-b]acridine?
The canonical SMILES for 1-ethyl-2-methylimidazo[4,5-b]acridine is CCn1c(C)nc2cc3nc4ccccc4cc3cc21.
What is the InChIKey of 1-ethyl-2-methylimidazo[4,5-b]acridine?
The InChIKey is XFUIMDWWTPBLPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3/c1-3-20-11(2)18-16-10-15-13(9-17(16)20)8-12-6-4-5-7-14(12)19-15/h4-10H,3H2,1-2H3.
What are the key properties of 1-ethyl-2-methylimidazo[4,5-b]acridine?
1-ethyl-2-methylimidazo[4,5-b]acridine has a molecular weight of 261.33 g/mol, XLogP of 4.07, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-methylimidazo[4,5-b]acridine is sourced from PubChem (CID 89386327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).