[7-(dipropylamino)phenoxazin-3-ylidene]-dipropylazanium chloride

C24H34ClN3O — CID 24881269

IUPAC[7-(dipropylamino)phenoxazin-3-ylidene]-dipropylazanium chloride
SMILESCCCN(CCC)c1ccc2nc3ccc(=[N+](CCC)CCC)cc-3oc2c1.[Cl-]
InChIInChI=1S/C24H34N3O.ClH/c1-5-13-26(14-6-2)19-9-11-21-23(17-19)28-24-18-20(10-12-22(24)25-21)27(15-7-3)16-8-4;/h9-12,17-18H,5-8,13-16H2,1-4H3;1H/q+1;/p-1
InChIKeyMTPPFJHJMUUPNF-UHFFFAOYSA-M
MW416.01 g/mol
LogP2.16
Rot. Bonds9

About [7-(dipropylamino)phenoxazin-3-ylidene]-dipropylazanium chloride

[7-(dipropylamino)phenoxazin-3-ylidene]-dipropylazanium chloride (PubChem CID 24881269) has the molecular formula C24H34ClN3O and a molecular weight of 416.01 g/mol. Its IUPAC name is [7-(dipropylamino)phenoxazin-3-ylidene]-dipropylazanium chloride.

Molecular Properties

Compound Name[7-(dipropylamino)phenoxazin-3-ylidene]-dipropylazanium chloride
PubChem CID24881269
Molecular FormulaC24H34ClN3O
Molecular Weight416.01 g/mol
Exact Mass415.24
IUPAC Name[7-(dipropylamino)phenoxazin-3-ylidene]-dipropylazanium chloride
SMILESCCCN(CCC)c1ccc2nc3ccc(=[N+](CCC)CCC)cc-3oc2c1.[Cl-]
InChIInChI=1S/C24H34N3O.ClH/c1-5-13-26(14-6-2)19-9-11-21-23(17-19)28-24-18-20(10-12-22(24)25-21)27(15-7-3)16-8-4;/h9-12,17-18H,5-8,13-16H2,1-4H3;1H/q+1;/p-1
InChIKeyMTPPFJHJMUUPNF-UHFFFAOYSA-M
XLogP2.16
TPSA32.28 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.01
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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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Frequently Asked Questions

What is the IUPAC name of [7-(dipropylamino)phenoxazin-3-ylidene]-dipropylazanium chloride?
The IUPAC name of [7-(dipropylamino)phenoxazin-3-ylidene]-dipropylazanium chloride (CID 24881269) is [7-(dipropylamino)phenoxazin-3-ylidene]-dipropylazanium chloride.
What is the SMILES notation for [7-(dipropylamino)phenoxazin-3-ylidene]-dipropylazanium chloride?
The canonical SMILES for [7-(dipropylamino)phenoxazin-3-ylidene]-dipropylazanium chloride is CCCN(CCC)c1ccc2nc3ccc(=[N+](CCC)CCC)cc-3oc2c1.[Cl-].
What is the InChIKey of [7-(dipropylamino)phenoxazin-3-ylidene]-dipropylazanium chloride?
The InChIKey is MTPPFJHJMUUPNF-UHFFFAOYSA-M. The full InChI is InChI=1S/C24H34N3O.ClH/c1-5-13-26(14-6-2)19-9-11-21-23(17-19)28-24-18-20(10-12-22(24)25-21)27(15-7-3)16-8-4;/h9-12,17-18H,5-8,13-16H2,1-4H3;1H/q+1;/p-1.
What are the key properties of [7-(dipropylamino)phenoxazin-3-ylidene]-dipropylazanium chloride?
[7-(dipropylamino)phenoxazin-3-ylidene]-dipropylazanium chloride has a molecular weight of 416.01 g/mol, XLogP of 2.16, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [7-(dipropylamino)phenoxazin-3-ylidene]-dipropylazanium chloride is sourced from PubChem (CID 24881269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).