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

C18H16N3O+ — CID 4306745

IUPAC(5-aminobenzo[a]phenoxazin-9-ylidene)-dimethylazanium
SMILESC[N+](C)=c1ccc2nc3c(cc(N)c4ccccc43)oc-2c1
InChIInChI=1S/C18H15N3O/c1-21(2)11-7-8-15-16(9-11)22-17-10-14(19)12-5-3-4-6-13(12)18(17)20-15/h3-10,19H,1-2H3/p+1
InChIKeyDCPNUQJHDCGPJQ-UHFFFAOYSA-O
MW290.35 g/mol
LogP2.70
Rot. Bonds

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

(5-aminobenzo[a]phenoxazin-9-ylidene)-dimethylazanium (PubChem CID 4306745) has the molecular formula C18H16N3O+ and a molecular weight of 290.35 g/mol. Its IUPAC name is (5-aminobenzo[a]phenoxazin-9-ylidene)-dimethylazanium.

Molecular Properties

Compound Name(5-aminobenzo[a]phenoxazin-9-ylidene)-dimethylazanium
PubChem CID4306745
Molecular FormulaC18H16N3O+
Molecular Weight290.35 g/mol
Exact Mass290.13
IUPAC Name(5-aminobenzo[a]phenoxazin-9-ylidene)-dimethylazanium
SMILESC[N+](C)=c1ccc2nc3c(cc(N)c4ccccc43)oc-2c1
InChIInChI=1S/C18H15N3O/c1-21(2)11-7-8-15-16(9-11)22-17-10-14(19)12-5-3-4-6-13(12)18(17)20-15/h3-10,19H,1-2H3/p+1
InChIKeyDCPNUQJHDCGPJQ-UHFFFAOYSA-O
XLogP2.70
TPSA55.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.35
LogP ≤ 52.70
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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Frequently Asked Questions

What is the IUPAC name of (5-aminobenzo[a]phenoxazin-9-ylidene)-dimethylazanium?
The IUPAC name of (5-aminobenzo[a]phenoxazin-9-ylidene)-dimethylazanium (CID 4306745) is (5-aminobenzo[a]phenoxazin-9-ylidene)-dimethylazanium.
What is the SMILES notation for (5-aminobenzo[a]phenoxazin-9-ylidene)-dimethylazanium?
The canonical SMILES for (5-aminobenzo[a]phenoxazin-9-ylidene)-dimethylazanium is C[N+](C)=c1ccc2nc3c(cc(N)c4ccccc43)oc-2c1.
What is the InChIKey of (5-aminobenzo[a]phenoxazin-9-ylidene)-dimethylazanium?
The InChIKey is DCPNUQJHDCGPJQ-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H15N3O/c1-21(2)11-7-8-15-16(9-11)22-17-10-14(19)12-5-3-4-6-13(12)18(17)20-15/h3-10,19H,1-2H3/p+1.
What are the key properties of (5-aminobenzo[a]phenoxazin-9-ylidene)-dimethylazanium?
(5-aminobenzo[a]phenoxazin-9-ylidene)-dimethylazanium has a molecular weight of 290.35 g/mol, XLogP of 2.70, 0 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)-dimethylazanium is sourced from PubChem (CID 4306745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).