1-methylacridine;hydrochloride

C14H12ClN — CID 175333750

IUPAC1-methylacridine;hydrochloride
SMILESCc1cccc2nc3ccccc3cc12.Cl
InChIInChI=1S/C14H11N.ClH/c1-10-5-4-8-14-12(10)9-11-6-2-3-7-13(11)15-14;/h2-9H,1H3;1H
InChIKeyOVFAZNQAMWVGGE-UHFFFAOYSA-N
MW229.71 g/mol
LogP4.12
Rot. Bonds

About 1-methylacridine;hydrochloride

1-methylacridine;hydrochloride (PubChem CID 175333750) has the molecular formula C14H12ClN and a molecular weight of 229.71 g/mol. Its IUPAC name is 1-methylacridine;hydrochloride.

Molecular Properties

Compound Name1-methylacridine;hydrochloride
PubChem CID175333750
Molecular FormulaC14H12ClN
Molecular Weight229.71 g/mol
Exact Mass229.07
IUPAC Name1-methylacridine;hydrochloride
SMILESCc1cccc2nc3ccccc3cc12.Cl
InChIInChI=1S/C14H11N.ClH/c1-10-5-4-8-14-12(10)9-11-6-2-3-7-13(11)15-14;/h2-9H,1H3;1H
InChIKeyOVFAZNQAMWVGGE-UHFFFAOYSA-N
XLogP4.12
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.71
LogP ≤ 54.12
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 1-methylacridine;hydrochloride?
The IUPAC name of 1-methylacridine;hydrochloride (CID 175333750) is 1-methylacridine;hydrochloride.
What is the SMILES notation for 1-methylacridine;hydrochloride?
The canonical SMILES for 1-methylacridine;hydrochloride is Cc1cccc2nc3ccccc3cc12.Cl.
What is the InChIKey of 1-methylacridine;hydrochloride?
The InChIKey is OVFAZNQAMWVGGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N.ClH/c1-10-5-4-8-14-12(10)9-11-6-2-3-7-13(11)15-14;/h2-9H,1H3;1H.
What are the key properties of 1-methylacridine;hydrochloride?
1-methylacridine;hydrochloride has a molecular weight of 229.71 g/mol, XLogP of 4.12, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylacridine;hydrochloride is sourced from PubChem (CID 175333750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).