9-cyclopropylpyrido[3,2-b]phenazine-5,12-dione

C18H11N3O2 — CID 155690252

IUPAC9-cyclopropylpyrido[3,2-b]phenazine-5,12-dione
SMILESO=C1c2cccnc2C(=O)c2nc3cc(C4CC4)ccc3nc21
InChIInChI=1S/C18H11N3O2/c22-17-11-2-1-7-19-14(11)18(23)16-15(17)20-12-6-5-10(9-3-4-9)8-13(12)21-16/h1-2,5-9H,3-4H2
InChIKeyCOJXVGAFOXGLNI-UHFFFAOYSA-N
MW301.31 g/mol
LogP2.68
Rot. Bonds1

About 9-cyclopropylpyrido[3,2-b]phenazine-5,12-dione

9-cyclopropylpyrido[3,2-b]phenazine-5,12-dione (PubChem CID 155690252) has the molecular formula C18H11N3O2 and a molecular weight of 301.31 g/mol. Its IUPAC name is 9-cyclopropylpyrido[3,2-b]phenazine-5,12-dione.

Molecular Properties

Compound Name9-cyclopropylpyrido[3,2-b]phenazine-5,12-dione
PubChem CID155690252
Molecular FormulaC18H11N3O2
Molecular Weight301.31 g/mol
Exact Mass301.09
IUPAC Name9-cyclopropylpyrido[3,2-b]phenazine-5,12-dione
SMILESO=C1c2cccnc2C(=O)c2nc3cc(C4CC4)ccc3nc21
InChIInChI=1S/C18H11N3O2/c22-17-11-2-1-7-19-14(11)18(23)16-15(17)20-12-6-5-10(9-3-4-9)8-13(12)21-16/h1-2,5-9H,3-4H2
InChIKeyCOJXVGAFOXGLNI-UHFFFAOYSA-N
XLogP2.68
TPSA72.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.31
LogP ≤ 52.68
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 9-cyclopropylpyrido[3,2-b]phenazine-5,12-dione?
The IUPAC name of 9-cyclopropylpyrido[3,2-b]phenazine-5,12-dione (CID 155690252) is 9-cyclopropylpyrido[3,2-b]phenazine-5,12-dione.
What is the SMILES notation for 9-cyclopropylpyrido[3,2-b]phenazine-5,12-dione?
The canonical SMILES for 9-cyclopropylpyrido[3,2-b]phenazine-5,12-dione is O=C1c2cccnc2C(=O)c2nc3cc(C4CC4)ccc3nc21.
What is the InChIKey of 9-cyclopropylpyrido[3,2-b]phenazine-5,12-dione?
The InChIKey is COJXVGAFOXGLNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11N3O2/c22-17-11-2-1-7-19-14(11)18(23)16-15(17)20-12-6-5-10(9-3-4-9)8-13(12)21-16/h1-2,5-9H,3-4H2.
What are the key properties of 9-cyclopropylpyrido[3,2-b]phenazine-5,12-dione?
9-cyclopropylpyrido[3,2-b]phenazine-5,12-dione has a molecular weight of 301.31 g/mol, XLogP of 2.68, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-cyclopropylpyrido[3,2-b]phenazine-5,12-dione is sourced from PubChem (CID 155690252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).