(6-amino-7-methylacridin-3-yl)-dimethylazanium chloride

C16H18ClN3 — CID 21509

IUPAC(6-amino-7-methylacridin-3-yl)-dimethylazanium chloride
SMILESCc1cc2cc3ccc([NH+](C)C)cc3nc2cc1N.[Cl-]
InChIInChI=1S/C16H17N3.ClH/c1-10-6-12-7-11-4-5-13(19(2)3)8-15(11)18-16(12)9-14(10)17;/h4-9H,17H2,1-3H3;1H
InChIKeyJRMDFAKCPRMZKA-UHFFFAOYSA-N
MW287.79 g/mol
LogP-0.94
Rot. Bonds1

About (6-amino-7-methylacridin-3-yl)-dimethylazanium chloride

(6-amino-7-methylacridin-3-yl)-dimethylazanium chloride (PubChem CID 21509) has the molecular formula C16H18ClN3 and a molecular weight of 287.79 g/mol. Its IUPAC name is (6-amino-7-methylacridin-3-yl)-dimethylazanium chloride.

Molecular Properties

Compound Name(6-amino-7-methylacridin-3-yl)-dimethylazanium chloride
PubChem CID21509
Molecular FormulaC16H18ClN3
Molecular Weight287.79 g/mol
Exact Mass287.12
IUPAC Name(6-amino-7-methylacridin-3-yl)-dimethylazanium chloride
SMILESCc1cc2cc3ccc([NH+](C)C)cc3nc2cc1N.[Cl-]
InChIInChI=1S/C16H17N3.ClH/c1-10-6-12-7-11-4-5-13(19(2)3)8-15(11)18-16(12)9-14(10)17;/h4-9H,17H2,1-3H3;1H
InChIKeyJRMDFAKCPRMZKA-UHFFFAOYSA-N
XLogP-0.94
TPSA43.35 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.79
LogP ≤ 5-0.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (6-amino-7-methylacridin-3-yl)-dimethylazanium chloride?
The IUPAC name of (6-amino-7-methylacridin-3-yl)-dimethylazanium chloride (CID 21509) is (6-amino-7-methylacridin-3-yl)-dimethylazanium chloride.
What is the SMILES notation for (6-amino-7-methylacridin-3-yl)-dimethylazanium chloride?
The canonical SMILES for (6-amino-7-methylacridin-3-yl)-dimethylazanium chloride is Cc1cc2cc3ccc([NH+](C)C)cc3nc2cc1N.[Cl-].
What is the InChIKey of (6-amino-7-methylacridin-3-yl)-dimethylazanium chloride?
The InChIKey is JRMDFAKCPRMZKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3.ClH/c1-10-6-12-7-11-4-5-13(19(2)3)8-15(11)18-16(12)9-14(10)17;/h4-9H,17H2,1-3H3;1H.
What are the key properties of (6-amino-7-methylacridin-3-yl)-dimethylazanium chloride?
(6-amino-7-methylacridin-3-yl)-dimethylazanium chloride has a molecular weight of 287.79 g/mol, XLogP of -0.94, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-amino-7-methylacridin-3-yl)-dimethylazanium chloride is sourced from PubChem (CID 21509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).