3,4,9-trimethylacridine

C16H15N — CID 58813802

IUPAC3,4,9-trimethylacridine
SMILESCc1ccc2c(C)c3ccccc3nc2c1C
InChIInChI=1S/C16H15N/c1-10-8-9-14-12(3)13-6-4-5-7-15(13)17-16(14)11(10)2/h4-9H,1-3H3
InChIKeyNIHCDVNVSUYQAD-UHFFFAOYSA-N
MW221.30 g/mol
LogP4.31
Rot. Bonds

About 3,4,9-trimethylacridine

3,4,9-trimethylacridine (PubChem CID 58813802) has the molecular formula C16H15N and a molecular weight of 221.30 g/mol. Its IUPAC name is 3,4,9-trimethylacridine.

Molecular Properties

Compound Name3,4,9-trimethylacridine
PubChem CID58813802
Molecular FormulaC16H15N
Molecular Weight221.30 g/mol
Exact Mass221.12
IUPAC Name3,4,9-trimethylacridine
SMILESCc1ccc2c(C)c3ccccc3nc2c1C
InChIInChI=1S/C16H15N/c1-10-8-9-14-12(3)13-6-4-5-7-15(13)17-16(14)11(10)2/h4-9H,1-3H3
InChIKeyNIHCDVNVSUYQAD-UHFFFAOYSA-N
XLogP4.31
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 3,4,9-trimethylacridine?
The IUPAC name of 3,4,9-trimethylacridine (CID 58813802) is 3,4,9-trimethylacridine.
What is the SMILES notation for 3,4,9-trimethylacridine?
The canonical SMILES for 3,4,9-trimethylacridine is Cc1ccc2c(C)c3ccccc3nc2c1C.
What is the InChIKey of 3,4,9-trimethylacridine?
The InChIKey is NIHCDVNVSUYQAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N/c1-10-8-9-14-12(3)13-6-4-5-7-15(13)17-16(14)11(10)2/h4-9H,1-3H3.
What are the key properties of 3,4,9-trimethylacridine?
3,4,9-trimethylacridine has a molecular weight of 221.30 g/mol, XLogP of 4.31, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,9-trimethylacridine is sourced from PubChem (CID 58813802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).