dimethyl-(7-morpholin-4-ylphenoxazin-3-ylidene)azanium chloride

C18H20ClN3O2 — CID 24881340

IUPACdimethyl-(7-morpholin-4-ylphenoxazin-3-ylidene)azanium chloride
SMILESC[N+](C)=c1ccc2nc3ccc(N4CCOCC4)cc3oc-2c1.[Cl-]
InChIInChI=1S/C18H20N3O2.ClH/c1-20(2)13-3-5-15-17(11-13)23-18-12-14(4-6-16(18)19-15)21-7-9-22-10-8-21;/h3-6,11-12H,7-10H2,1-2H3;1H/q+1;/p-1
InChIKeyOZGBYIKQANYAOR-UHFFFAOYSA-M
MW345.83 g/mol
LogP-1.20
Rot. Bonds1

About dimethyl-(7-morpholin-4-ylphenoxazin-3-ylidene)azanium chloride

dimethyl-(7-morpholin-4-ylphenoxazin-3-ylidene)azanium chloride (PubChem CID 24881340) has the molecular formula C18H20ClN3O2 and a molecular weight of 345.83 g/mol. Its IUPAC name is dimethyl-(7-morpholin-4-ylphenoxazin-3-ylidene)azanium chloride.

Molecular Properties

Compound Namedimethyl-(7-morpholin-4-ylphenoxazin-3-ylidene)azanium chloride
PubChem CID24881340
Molecular FormulaC18H20ClN3O2
Molecular Weight345.83 g/mol
Exact Mass345.12
IUPAC Namedimethyl-(7-morpholin-4-ylphenoxazin-3-ylidene)azanium chloride
SMILESC[N+](C)=c1ccc2nc3ccc(N4CCOCC4)cc3oc-2c1.[Cl-]
InChIInChI=1S/C18H20N3O2.ClH/c1-20(2)13-3-5-15-17(11-13)23-18-12-14(4-6-16(18)19-15)21-7-9-22-10-8-21;/h3-6,11-12H,7-10H2,1-2H3;1H/q+1;/p-1
InChIKeyOZGBYIKQANYAOR-UHFFFAOYSA-M
XLogP-1.20
TPSA41.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.83
LogP ≤ 5-1.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

C.I. Basic Blue 3
CID 118408
Phenoxazin-5-ium, 3-(diethylamino)-7-(dimethylamino)-2-methyl-, chloride (1:1)
CID 102162
Modr kresylova
CID 73521
Ammonium, (7-(dimethylamino)-3H-phenoxazin-3-ylidene)dimethyl-, chloride
CID 209687
2-Methoxy-4-morpholinoaniline hydrochloride
CID 21144261
1-(2,3-Dihydro-benzo[1,4]dioxin-5-yl)-4-hexyl-piperazine
CID 14960327
1-(2,3-Dihydro-1,4-benzodioxin-5-yl)-4-(3-phenoxypropyl)piperazine;hydrochloride
CID 45261096
1-(2,3-Dihydro-1,4-benzodioxin-5-yl)-4-(2-phenoxyethyl)piperazine;hydrochloride
CID 45261110
1-(2,3-Dihydro-benzo[1,4]dioxin-5-yl)-4-ethyl-piperazine
CID 14960324
1-(2,3-Dihydro-benzo[1,4]dioxin-5-yl)-4-methyl-piperazine
CID 14960330
2,5-Diethoxy-4-(4-morpholinyl)benzenamine
CID 98599
Phenoxazin-5-ium, 3,7-bis(diethylamino)-, nitrate (1:1)
CID 166432

Frequently Asked Questions

What is the IUPAC name of dimethyl-(7-morpholin-4-ylphenoxazin-3-ylidene)azanium chloride?
The IUPAC name of dimethyl-(7-morpholin-4-ylphenoxazin-3-ylidene)azanium chloride (CID 24881340) is dimethyl-(7-morpholin-4-ylphenoxazin-3-ylidene)azanium chloride.
What is the SMILES notation for dimethyl-(7-morpholin-4-ylphenoxazin-3-ylidene)azanium chloride?
The canonical SMILES for dimethyl-(7-morpholin-4-ylphenoxazin-3-ylidene)azanium chloride is C[N+](C)=c1ccc2nc3ccc(N4CCOCC4)cc3oc-2c1.[Cl-].
What is the InChIKey of dimethyl-(7-morpholin-4-ylphenoxazin-3-ylidene)azanium chloride?
The InChIKey is OZGBYIKQANYAOR-UHFFFAOYSA-M. The full InChI is InChI=1S/C18H20N3O2.ClH/c1-20(2)13-3-5-15-17(11-13)23-18-12-14(4-6-16(18)19-15)21-7-9-22-10-8-21;/h3-6,11-12H,7-10H2,1-2H3;1H/q+1;/p-1.
What are the key properties of dimethyl-(7-morpholin-4-ylphenoxazin-3-ylidene)azanium chloride?
dimethyl-(7-morpholin-4-ylphenoxazin-3-ylidene)azanium chloride has a molecular weight of 345.83 g/mol, XLogP of -1.20, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-(7-morpholin-4-ylphenoxazin-3-ylidene)azanium chloride is sourced from PubChem (CID 24881340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).