(5-anilinobenzo[a]phenoxazin-9-ylidene)-dimethylazanium chloride

C24H20ClN3O — CID 5458886

IUPAC(5-anilinobenzo[a]phenoxazin-9-ylidene)-dimethylazanium chloride
SMILESC[N+](C)=c1ccc2nc3c(cc(Nc4ccccc4)c4ccccc43)oc-2c1.[Cl-]
InChIInChI=1S/C24H19N3O.ClH/c1-27(2)17-12-13-20-22(14-17)28-23-15-21(25-16-8-4-3-5-9-16)18-10-6-7-11-19(18)24(23)26-20;/h3-15H,1-2H3;1H
InChIKeyJVHAYOCULXKRSR-UHFFFAOYSA-N
MW401.90 g/mol
LogP1.87
Rot. Bonds2

About (5-anilinobenzo[a]phenoxazin-9-ylidene)-dimethylazanium chloride

(5-anilinobenzo[a]phenoxazin-9-ylidene)-dimethylazanium chloride (PubChem CID 5458886) has the molecular formula C24H20ClN3O and a molecular weight of 401.90 g/mol. Its IUPAC name is (5-anilinobenzo[a]phenoxazin-9-ylidene)-dimethylazanium chloride.

Molecular Properties

Compound Name(5-anilinobenzo[a]phenoxazin-9-ylidene)-dimethylazanium chloride
PubChem CID5458886
Molecular FormulaC24H20ClN3O
Molecular Weight401.90 g/mol
Exact Mass401.13
IUPAC Name(5-anilinobenzo[a]phenoxazin-9-ylidene)-dimethylazanium chloride
SMILESC[N+](C)=c1ccc2nc3c(cc(Nc4ccccc4)c4ccccc43)oc-2c1.[Cl-]
InChIInChI=1S/C24H19N3O.ClH/c1-27(2)17-12-13-20-22(14-17)28-23-15-21(25-16-8-4-3-5-9-16)18-10-6-7-11-19(18)24(23)26-20;/h3-15H,1-2H3;1H
InChIKeyJVHAYOCULXKRSR-UHFFFAOYSA-N
XLogP1.87
TPSA41.07 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.90
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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'}

Analyze (5-anilinobenzo[a]phenoxazin-9-ylidene)-dimethylazanium chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Nile Blue hydrochloride
CID 16938
Nile Blue 2B
CID 20520
Nile Blue A
CID 19256
Spiro[2H-indole-2,3'-[3H]naphth[2,1-b][1,4]oxazine], 6'-(2,3-dihydro-1H-indol-1-yl)-1,3-dihydro-1,3,3-trimethyl-
CID 3104873
Oxazine 170 perchlorate
CID 93338
(5Z)-N,N-diethyl-5-phenylimino-benzo[a]phenoxazin-9-amine
CID 5351537
(5Z)-N,N-diethyl-5-(p-tolylimino)benzo[a]phenoxazin-9-amine
CID 54583642
Nile Blue perchlorate
CID 40736
Spiro[2H-indole-2,3'-[3H]naphth[2,1-b][1,4]oxazine], 1,3-dihydro-1,3,3-trimethyl-6'-(1-piperidinyl)-
CID 5125966
Benzo[a]phenoxazin-9-ylidene(diethyl)azanium chloride
CID 14122651
(5Z)-N,N-diethyl-5-(4-methoxyphenyl)imino-benzo[a]phenoxazin-9-amine
CID 53484168
(5Z)-N,N-diethyl-5-(3-methoxyphenyl)imino-benzo[a]phenoxazin-9-amine
CID 53484169

Frequently Asked Questions

What is the IUPAC name of (5-anilinobenzo[a]phenoxazin-9-ylidene)-dimethylazanium chloride?
The IUPAC name of (5-anilinobenzo[a]phenoxazin-9-ylidene)-dimethylazanium chloride (CID 5458886) is (5-anilinobenzo[a]phenoxazin-9-ylidene)-dimethylazanium chloride.
What is the SMILES notation for (5-anilinobenzo[a]phenoxazin-9-ylidene)-dimethylazanium chloride?
The canonical SMILES for (5-anilinobenzo[a]phenoxazin-9-ylidene)-dimethylazanium chloride is C[N+](C)=c1ccc2nc3c(cc(Nc4ccccc4)c4ccccc43)oc-2c1.[Cl-].
What is the InChIKey of (5-anilinobenzo[a]phenoxazin-9-ylidene)-dimethylazanium chloride?
The InChIKey is JVHAYOCULXKRSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3O.ClH/c1-27(2)17-12-13-20-22(14-17)28-23-15-21(25-16-8-4-3-5-9-16)18-10-6-7-11-19(18)24(23)26-20;/h3-15H,1-2H3;1H.
What are the key properties of (5-anilinobenzo[a]phenoxazin-9-ylidene)-dimethylazanium chloride?
(5-anilinobenzo[a]phenoxazin-9-ylidene)-dimethylazanium chloride has a molecular weight of 401.90 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-anilinobenzo[a]phenoxazin-9-ylidene)-dimethylazanium chloride is sourced from PubChem (CID 5458886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).