9-ethynyl-2-methoxy-7-methylacridine

C17H13NO — CID 178070913

IUPAC9-ethynyl-2-methoxy-7-methylacridine
SMILESC#Cc1c2cc(C)ccc2nc2ccc(OC)cc12
InChIInChI=1S/C17H13NO/c1-4-13-14-9-11(2)5-7-16(14)18-17-8-6-12(19-3)10-15(13)17/h1,5-10H,2-3H3
InChIKeyNYVMCVOLTHYKBL-UHFFFAOYSA-N
MW247.30 g/mol
LogP3.69
Rot. Bonds1

About 9-ethynyl-2-methoxy-7-methylacridine

9-ethynyl-2-methoxy-7-methylacridine (PubChem CID 178070913) has the molecular formula C17H13NO and a molecular weight of 247.30 g/mol. Its IUPAC name is 9-ethynyl-2-methoxy-7-methylacridine.

Molecular Properties

Compound Name9-ethynyl-2-methoxy-7-methylacridine
PubChem CID178070913
Molecular FormulaC17H13NO
Molecular Weight247.30 g/mol
Exact Mass247.10
IUPAC Name9-ethynyl-2-methoxy-7-methylacridine
SMILESC#Cc1c2cc(C)ccc2nc2ccc(OC)cc12
InChIInChI=1S/C17H13NO/c1-4-13-14-9-11(2)5-7-16(14)18-17-8-6-12(19-3)10-15(13)17/h1,5-10H,2-3H3
InChIKeyNYVMCVOLTHYKBL-UHFFFAOYSA-N
XLogP3.69
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 9-ethynyl-2-methoxy-7-methylacridine?
The IUPAC name of 9-ethynyl-2-methoxy-7-methylacridine (CID 178070913) is 9-ethynyl-2-methoxy-7-methylacridine.
What is the SMILES notation for 9-ethynyl-2-methoxy-7-methylacridine?
The canonical SMILES for 9-ethynyl-2-methoxy-7-methylacridine is C#Cc1c2cc(C)ccc2nc2ccc(OC)cc12.
What is the InChIKey of 9-ethynyl-2-methoxy-7-methylacridine?
The InChIKey is NYVMCVOLTHYKBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO/c1-4-13-14-9-11(2)5-7-16(14)18-17-8-6-12(19-3)10-15(13)17/h1,5-10H,2-3H3.
What are the key properties of 9-ethynyl-2-methoxy-7-methylacridine?
9-ethynyl-2-methoxy-7-methylacridine has a molecular weight of 247.30 g/mol, XLogP of 3.69, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-ethynyl-2-methoxy-7-methylacridine is sourced from PubChem (CID 178070913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).