3-(diethylamino)benzo[b]phenazine-6,11-dione

C20H17N3O2 — CID 4080326

IUPAC3-(diethylamino)benzo[b]phenazine-6,11-dione
SMILESCCN(CC)c1ccc2nc3c(nc2c1)C(=O)c1ccccc1C3=O
InChIInChI=1S/C20H17N3O2/c1-3-23(4-2)12-9-10-15-16(11-12)22-18-17(21-15)19(24)13-7-5-6-8-14(13)20(18)25/h5-11H,3-4H2,1-2H3
InChIKeyVDLCGTBTCDELCR-UHFFFAOYSA-N
MW331.38 g/mol
LogP3.25
Rot. Bonds3

About 3-(diethylamino)benzo[b]phenazine-6,11-dione

3-(diethylamino)benzo[b]phenazine-6,11-dione (PubChem CID 4080326) has the molecular formula C20H17N3O2 and a molecular weight of 331.38 g/mol. Its IUPAC name is 3-(diethylamino)benzo[b]phenazine-6,11-dione.

Molecular Properties

Compound Name3-(diethylamino)benzo[b]phenazine-6,11-dione
PubChem CID4080326
Molecular FormulaC20H17N3O2
Molecular Weight331.38 g/mol
Exact Mass331.13
IUPAC Name3-(diethylamino)benzo[b]phenazine-6,11-dione
SMILESCCN(CC)c1ccc2nc3c(nc2c1)C(=O)c1ccccc1C3=O
InChIInChI=1S/C20H17N3O2/c1-3-23(4-2)12-9-10-15-16(11-12)22-18-17(21-15)19(24)13-7-5-6-8-14(13)20(18)25/h5-11H,3-4H2,1-2H3
InChIKeyVDLCGTBTCDELCR-UHFFFAOYSA-N
XLogP3.25
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(diethylamino)benzo[b]phenazine-6,11-dione?
The IUPAC name of 3-(diethylamino)benzo[b]phenazine-6,11-dione (CID 4080326) is 3-(diethylamino)benzo[b]phenazine-6,11-dione.
What is the SMILES notation for 3-(diethylamino)benzo[b]phenazine-6,11-dione?
The canonical SMILES for 3-(diethylamino)benzo[b]phenazine-6,11-dione is CCN(CC)c1ccc2nc3c(nc2c1)C(=O)c1ccccc1C3=O.
What is the InChIKey of 3-(diethylamino)benzo[b]phenazine-6,11-dione?
The InChIKey is VDLCGTBTCDELCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O2/c1-3-23(4-2)12-9-10-15-16(11-12)22-18-17(21-15)19(24)13-7-5-6-8-14(13)20(18)25/h5-11H,3-4H2,1-2H3.
What are the key properties of 3-(diethylamino)benzo[b]phenazine-6,11-dione?
3-(diethylamino)benzo[b]phenazine-6,11-dione has a molecular weight of 331.38 g/mol, XLogP of 3.25, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethylamino)benzo[b]phenazine-6,11-dione is sourced from PubChem (CID 4080326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).