(7-amino-8-methylphenothiazin-3-ylidene)-dimethylazanium;hydrochloride

C15H17ClN3S+ — CID 16682403

IUPAC(7-amino-8-methylphenothiazin-3-ylidene)-dimethylazanium;hydrochloride
SMILESCc1cc2nc3ccc(=[N+](C)C)cc-3sc2cc1N.Cl
InChIInChI=1S/C15H15N3S.ClH/c1-9-6-13-15(8-11(9)16)19-14-7-10(18(2)3)4-5-12(14)17-13;/h4-8,16H,1-3H3;1H/p+1
InChIKeyGEDVVYWLPUPJJZ-UHFFFAOYSA-O
MW306.84 g/mol
LogP2.75
Rot. Bonds

About (7-amino-8-methylphenothiazin-3-ylidene)-dimethylazanium;hydrochloride

(7-amino-8-methylphenothiazin-3-ylidene)-dimethylazanium;hydrochloride (PubChem CID 16682403) has the molecular formula C15H17ClN3S+ and a molecular weight of 306.84 g/mol. Its IUPAC name is (7-amino-8-methylphenothiazin-3-ylidene)-dimethylazanium;hydrochloride.

Molecular Properties

Compound Name(7-amino-8-methylphenothiazin-3-ylidene)-dimethylazanium;hydrochloride
PubChem CID16682403
Molecular FormulaC15H17ClN3S+
Molecular Weight306.84 g/mol
Exact Mass306.08
IUPAC Name(7-amino-8-methylphenothiazin-3-ylidene)-dimethylazanium;hydrochloride
SMILESCc1cc2nc3ccc(=[N+](C)C)cc-3sc2cc1N.Cl
InChIInChI=1S/C15H15N3S.ClH/c1-9-6-13-15(8-11(9)16)19-14-7-10(18(2)3)4-5-12(14)17-13;/h4-8,16H,1-3H3;1H/p+1
InChIKeyGEDVVYWLPUPJJZ-UHFFFAOYSA-O
XLogP2.75
TPSA41.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.84
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', '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 (7-amino-8-methylphenothiazin-3-ylidene)-dimethylazanium;hydrochloride?
The IUPAC name of (7-amino-8-methylphenothiazin-3-ylidene)-dimethylazanium;hydrochloride (CID 16682403) is (7-amino-8-methylphenothiazin-3-ylidene)-dimethylazanium;hydrochloride.
What is the SMILES notation for (7-amino-8-methylphenothiazin-3-ylidene)-dimethylazanium;hydrochloride?
The canonical SMILES for (7-amino-8-methylphenothiazin-3-ylidene)-dimethylazanium;hydrochloride is Cc1cc2nc3ccc(=[N+](C)C)cc-3sc2cc1N.Cl.
What is the InChIKey of (7-amino-8-methylphenothiazin-3-ylidene)-dimethylazanium;hydrochloride?
The InChIKey is GEDVVYWLPUPJJZ-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H15N3S.ClH/c1-9-6-13-15(8-11(9)16)19-14-7-10(18(2)3)4-5-12(14)17-13;/h4-8,16H,1-3H3;1H/p+1.
What are the key properties of (7-amino-8-methylphenothiazin-3-ylidene)-dimethylazanium;hydrochloride?
(7-amino-8-methylphenothiazin-3-ylidene)-dimethylazanium;hydrochloride has a molecular weight of 306.84 g/mol, XLogP of 2.75, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7-amino-8-methylphenothiazin-3-ylidene)-dimethylazanium;hydrochloride is sourced from PubChem (CID 16682403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).