(5-amino-10-methylbenzo[a]phenoxazin-9-ylidene)-dimethylazanium chloride

C19H18ClN3O — CID 29092

IUPAC(5-amino-10-methylbenzo[a]phenoxazin-9-ylidene)-dimethylazanium chloride
SMILESCc1cc2nc3c(cc(N)c4ccccc43)oc-2cc1=[N+](C)C.[Cl-]
InChIInChI=1S/C19H17N3O.ClH/c1-11-8-15-17(10-16(11)22(2)3)23-18-9-14(20)12-6-4-5-7-13(12)19(18)21-15;/h4-10,20H,1-3H3;1H
InChIKeyZHAFUINZIZIXFC-UHFFFAOYSA-N
MW339.83 g/mol
LogP0.01
Rot. Bonds

About (5-amino-10-methylbenzo[a]phenoxazin-9-ylidene)-dimethylazanium chloride

(5-amino-10-methylbenzo[a]phenoxazin-9-ylidene)-dimethylazanium chloride (PubChem CID 29092) has the molecular formula C19H18ClN3O and a molecular weight of 339.83 g/mol. Its IUPAC name is (5-amino-10-methylbenzo[a]phenoxazin-9-ylidene)-dimethylazanium chloride.

Molecular Properties

Compound Name(5-amino-10-methylbenzo[a]phenoxazin-9-ylidene)-dimethylazanium chloride
PubChem CID29092
Molecular FormulaC19H18ClN3O
Molecular Weight339.83 g/mol
Exact Mass339.11
IUPAC Name(5-amino-10-methylbenzo[a]phenoxazin-9-ylidene)-dimethylazanium chloride
SMILESCc1cc2nc3c(cc(N)c4ccccc43)oc-2cc1=[N+](C)C.[Cl-]
InChIInChI=1S/C19H17N3O.ClH/c1-11-8-15-17(10-16(11)22(2)3)23-18-9-14(20)12-6-4-5-7-13(12)19(18)21-15;/h4-10,20H,1-3H3;1H
InChIKeyZHAFUINZIZIXFC-UHFFFAOYSA-N
XLogP0.01
TPSA55.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.83
LogP ≤ 50.01
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': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

Cresyl violet 670 perchlorate
CID 148425
Nile Blue hydrochloride
CID 16938
Basic Blue 6
CID 101929
Nile Blue 2B
CID 20520
Nile Blue A
CID 19256
Oxazine 170 perchlorate
CID 93338
Nile Blue perchlorate
CID 40736
Meldola blue
CID 81506
Benzo[a]phenoxazin-9-ylidene(diethyl)azanium chloride
CID 14122651
N,N-diethyl-5-phenyliminobenzo[a]phenoxazin-9-amine;hydrochloride
CID 54580677
Cresyl violet acetate
CID 135445693
(5-Anilinobenzo[a]phenoxazin-9-ylidene)-dimethylazanium chloride
CID 5458886

Frequently Asked Questions

What is the IUPAC name of (5-amino-10-methylbenzo[a]phenoxazin-9-ylidene)-dimethylazanium chloride?
The IUPAC name of (5-amino-10-methylbenzo[a]phenoxazin-9-ylidene)-dimethylazanium chloride (CID 29092) is (5-amino-10-methylbenzo[a]phenoxazin-9-ylidene)-dimethylazanium chloride.
What is the SMILES notation for (5-amino-10-methylbenzo[a]phenoxazin-9-ylidene)-dimethylazanium chloride?
The canonical SMILES for (5-amino-10-methylbenzo[a]phenoxazin-9-ylidene)-dimethylazanium chloride is Cc1cc2nc3c(cc(N)c4ccccc43)oc-2cc1=[N+](C)C.[Cl-].
What is the InChIKey of (5-amino-10-methylbenzo[a]phenoxazin-9-ylidene)-dimethylazanium chloride?
The InChIKey is ZHAFUINZIZIXFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O.ClH/c1-11-8-15-17(10-16(11)22(2)3)23-18-9-14(20)12-6-4-5-7-13(12)19(18)21-15;/h4-10,20H,1-3H3;1H.
What are the key properties of (5-amino-10-methylbenzo[a]phenoxazin-9-ylidene)-dimethylazanium chloride?
(5-amino-10-methylbenzo[a]phenoxazin-9-ylidene)-dimethylazanium chloride has a molecular weight of 339.83 g/mol, XLogP of 0.01, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-10-methylbenzo[a]phenoxazin-9-ylidene)-dimethylazanium chloride is sourced from PubChem (CID 29092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).