(2-methylindolizin-3-yl)-phenazin-1-ylmethanone

C22H15N3O — CID 5147795

IUPAC(2-methylindolizin-3-yl)-phenazin-1-ylmethanone
SMILESCc1cc2ccccn2c1C(=O)c1cccc2nc3ccccc3nc12
InChIInChI=1S/C22H15N3O/c1-14-13-15-7-4-5-12-25(15)21(14)22(26)16-8-6-11-19-20(16)24-18-10-3-2-9-17(18)23-19/h2-13H,1H3
InChIKeyQZBLONFAXJMMAN-UHFFFAOYSA-N
MW337.38 g/mol
LogP4.58
Rot. Bonds2

About (2-methylindolizin-3-yl)-phenazin-1-ylmethanone

(2-methylindolizin-3-yl)-phenazin-1-ylmethanone (PubChem CID 5147795) has the molecular formula C22H15N3O and a molecular weight of 337.38 g/mol. Its IUPAC name is (2-methylindolizin-3-yl)-phenazin-1-ylmethanone.

Molecular Properties

Compound Name(2-methylindolizin-3-yl)-phenazin-1-ylmethanone
PubChem CID5147795
Molecular FormulaC22H15N3O
Molecular Weight337.38 g/mol
Exact Mass337.12
IUPAC Name(2-methylindolizin-3-yl)-phenazin-1-ylmethanone
SMILESCc1cc2ccccn2c1C(=O)c1cccc2nc3ccccc3nc12
InChIInChI=1S/C22H15N3O/c1-14-13-15-7-4-5-12-25(15)21(14)22(26)16-8-6-11-19-20(16)24-18-10-3-2-9-17(18)23-19/h2-13H,1H3
InChIKeyQZBLONFAXJMMAN-UHFFFAOYSA-N
XLogP4.58
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2-methylindolizin-3-yl)-phenazin-1-ylmethanone?
The IUPAC name of (2-methylindolizin-3-yl)-phenazin-1-ylmethanone (CID 5147795) is (2-methylindolizin-3-yl)-phenazin-1-ylmethanone.
What is the SMILES notation for (2-methylindolizin-3-yl)-phenazin-1-ylmethanone?
The canonical SMILES for (2-methylindolizin-3-yl)-phenazin-1-ylmethanone is Cc1cc2ccccn2c1C(=O)c1cccc2nc3ccccc3nc12.
What is the InChIKey of (2-methylindolizin-3-yl)-phenazin-1-ylmethanone?
The InChIKey is QZBLONFAXJMMAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15N3O/c1-14-13-15-7-4-5-12-25(15)21(14)22(26)16-8-6-11-19-20(16)24-18-10-3-2-9-17(18)23-19/h2-13H,1H3.
What are the key properties of (2-methylindolizin-3-yl)-phenazin-1-ylmethanone?
(2-methylindolizin-3-yl)-phenazin-1-ylmethanone has a molecular weight of 337.38 g/mol, XLogP of 4.58, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylindolizin-3-yl)-phenazin-1-ylmethanone is sourced from PubChem (CID 5147795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).