10-ethyl-9-methylacridin-10-ium iodide

C16H16IN — CID 172827370

IUPAC10-ethyl-9-methylacridin-10-ium iodide
SMILESCC[n+]1c2ccccc2c(C)c2ccccc21.[I-]
InChIInChI=1S/C16H16N.HI/c1-3-17-15-10-6-4-8-13(15)12(2)14-9-5-7-11-16(14)17;/h4-11H,3H2,1-2H3;1H/q+1;/p-1
InChIKeyVBCVSKGOWGBKNV-UHFFFAOYSA-M
MW349.22 g/mol
LogP0.61
Rot. Bonds1

About 10-ethyl-9-methylacridin-10-ium iodide

10-ethyl-9-methylacridin-10-ium iodide (PubChem CID 172827370) has the molecular formula C16H16IN and a molecular weight of 349.22 g/mol. Its IUPAC name is 10-ethyl-9-methylacridin-10-ium iodide.

Molecular Properties

Compound Name10-ethyl-9-methylacridin-10-ium iodide
PubChem CID172827370
Molecular FormulaC16H16IN
Molecular Weight349.22 g/mol
Exact Mass349.03
IUPAC Name10-ethyl-9-methylacridin-10-ium iodide
SMILESCC[n+]1c2ccccc2c(C)c2ccccc21.[I-]
InChIInChI=1S/C16H16N.HI/c1-3-17-15-10-6-4-8-13(15)12(2)14-9-5-7-11-16(14)17;/h4-11H,3H2,1-2H3;1H/q+1;/p-1
InChIKeyVBCVSKGOWGBKNV-UHFFFAOYSA-M
XLogP0.61
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.22
LogP ≤ 50.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_pyridiniums_A(39)', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 10-ethyl-9-methylacridin-10-ium iodide?
The IUPAC name of 10-ethyl-9-methylacridin-10-ium iodide (CID 172827370) is 10-ethyl-9-methylacridin-10-ium iodide.
What is the SMILES notation for 10-ethyl-9-methylacridin-10-ium iodide?
The canonical SMILES for 10-ethyl-9-methylacridin-10-ium iodide is CC[n+]1c2ccccc2c(C)c2ccccc21.[I-].
What is the InChIKey of 10-ethyl-9-methylacridin-10-ium iodide?
The InChIKey is VBCVSKGOWGBKNV-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H16N.HI/c1-3-17-15-10-6-4-8-13(15)12(2)14-9-5-7-11-16(14)17;/h4-11H,3H2,1-2H3;1H/q+1;/p-1.
What are the key properties of 10-ethyl-9-methylacridin-10-ium iodide?
10-ethyl-9-methylacridin-10-ium iodide has a molecular weight of 349.22 g/mol, XLogP of 0.61, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 10-ethyl-9-methylacridin-10-ium iodide is sourced from PubChem (CID 172827370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).