9-chloro-2,3,7-trimethylacridine

C16H14ClN — CID 19749386

IUPAC9-chloro-2,3,7-trimethylacridine
SMILESCc1ccc2nc3cc(C)c(C)cc3c(Cl)c2c1
InChIInChI=1S/C16H14ClN/c1-9-4-5-14-12(6-9)16(17)13-7-10(2)11(3)8-15(13)18-14/h4-8H,1-3H3
InChIKeyXKEKMFVOIMJEII-UHFFFAOYSA-N
MW255.75 g/mol
LogP4.97
Rot. Bonds

About 9-chloro-2,3,7-trimethylacridine

9-chloro-2,3,7-trimethylacridine (PubChem CID 19749386) has the molecular formula C16H14ClN and a molecular weight of 255.75 g/mol. Its IUPAC name is 9-chloro-2,3,7-trimethylacridine.

Molecular Properties

Compound Name9-chloro-2,3,7-trimethylacridine
PubChem CID19749386
Molecular FormulaC16H14ClN
Molecular Weight255.75 g/mol
Exact Mass255.08
IUPAC Name9-chloro-2,3,7-trimethylacridine
SMILESCc1ccc2nc3cc(C)c(C)cc3c(Cl)c2c1
InChIInChI=1S/C16H14ClN/c1-9-4-5-14-12(6-9)16(17)13-7-10(2)11(3)8-15(13)18-14/h4-8H,1-3H3
InChIKeyXKEKMFVOIMJEII-UHFFFAOYSA-N
XLogP4.97
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.75
LogP ≤ 54.97
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 9-chloro-2,3,7-trimethylacridine?
The IUPAC name of 9-chloro-2,3,7-trimethylacridine (CID 19749386) is 9-chloro-2,3,7-trimethylacridine.
What is the SMILES notation for 9-chloro-2,3,7-trimethylacridine?
The canonical SMILES for 9-chloro-2,3,7-trimethylacridine is Cc1ccc2nc3cc(C)c(C)cc3c(Cl)c2c1.
What is the InChIKey of 9-chloro-2,3,7-trimethylacridine?
The InChIKey is XKEKMFVOIMJEII-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN/c1-9-4-5-14-12(6-9)16(17)13-7-10(2)11(3)8-15(13)18-14/h4-8H,1-3H3.
What are the key properties of 9-chloro-2,3,7-trimethylacridine?
9-chloro-2,3,7-trimethylacridine has a molecular weight of 255.75 g/mol, XLogP of 4.97, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-chloro-2,3,7-trimethylacridine is sourced from PubChem (CID 19749386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).