(5-aminobenzo[a]phenoxazin-9-ylidene)-diethylazanium

C20H20N3O+ — CID 16939

IUPAC(5-aminobenzo[a]phenoxazin-9-ylidene)-diethylazanium
SMILESCC[N+](CC)=c1ccc2nc3c(cc(N)c4ccccc43)oc-2c1
InChIInChI=1S/C20H19N3O/c1-3-23(4-2)13-9-10-17-18(11-13)24-19-12-16(21)14-7-5-6-8-15(14)20(19)22-17/h5-12,21H,3-4H2,1-2H3/p+1
InChIKeyYQSIDWSTCJNDPD-UHFFFAOYSA-O
MW318.40 g/mol
LogP3.48
Rot. Bonds2

About (5-aminobenzo[a]phenoxazin-9-ylidene)-diethylazanium

(5-aminobenzo[a]phenoxazin-9-ylidene)-diethylazanium (PubChem CID 16939) has the molecular formula C20H20N3O+ and a molecular weight of 318.40 g/mol. Its IUPAC name is (5-aminobenzo[a]phenoxazin-9-ylidene)-diethylazanium.

Molecular Properties

Compound Name(5-aminobenzo[a]phenoxazin-9-ylidene)-diethylazanium
PubChem CID16939
Molecular FormulaC20H20N3O+
Molecular Weight318.40 g/mol
Exact Mass318.16
IUPAC Name(5-aminobenzo[a]phenoxazin-9-ylidene)-diethylazanium
SMILESCC[N+](CC)=c1ccc2nc3c(cc(N)c4ccccc43)oc-2c1
InChIInChI=1S/C20H19N3O/c1-3-23(4-2)13-9-10-17-18(11-13)24-19-12-16(21)14-7-5-6-8-15(14)20(19)22-17/h5-12,21H,3-4H2,1-2H3/p+1
InChIKeyYQSIDWSTCJNDPD-UHFFFAOYSA-O
XLogP3.48
TPSA55.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 53.48
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'}

Analyze (5-aminobenzo[a]phenoxazin-9-ylidene)-diethylazanium with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5-aminobenzo[a]phenoxazin-9-ylidene)-diethylazanium?
The IUPAC name of (5-aminobenzo[a]phenoxazin-9-ylidene)-diethylazanium (CID 16939) is (5-aminobenzo[a]phenoxazin-9-ylidene)-diethylazanium.
What is the SMILES notation for (5-aminobenzo[a]phenoxazin-9-ylidene)-diethylazanium?
The canonical SMILES for (5-aminobenzo[a]phenoxazin-9-ylidene)-diethylazanium is CC[N+](CC)=c1ccc2nc3c(cc(N)c4ccccc43)oc-2c1.
What is the InChIKey of (5-aminobenzo[a]phenoxazin-9-ylidene)-diethylazanium?
The InChIKey is YQSIDWSTCJNDPD-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H19N3O/c1-3-23(4-2)13-9-10-17-18(11-13)24-19-12-16(21)14-7-5-6-8-15(14)20(19)22-17/h5-12,21H,3-4H2,1-2H3/p+1.
What are the key properties of (5-aminobenzo[a]phenoxazin-9-ylidene)-diethylazanium?
(5-aminobenzo[a]phenoxazin-9-ylidene)-diethylazanium has a molecular weight of 318.40 g/mol, XLogP of 3.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-aminobenzo[a]phenoxazin-9-ylidene)-diethylazanium is sourced from PubChem (CID 16939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).