3,7-dimethyl-10-pyridin-2-ylphenoxazine

C19H16N2O — CID 22146261

IUPAC3,7-dimethyl-10-pyridin-2-ylphenoxazine
SMILESCc1ccc2c(c1)Oc1cc(C)ccc1N2c1ccccn1
InChIInChI=1S/C19H16N2O/c1-13-6-8-15-17(11-13)22-18-12-14(2)7-9-16(18)21(15)19-5-3-4-10-20-19/h3-12H,1-2H3
InChIKeyZJXLIFXSZAEEBM-UHFFFAOYSA-N
MW288.35 g/mol
LogP5.27
Rot. Bonds1

About 3,7-dimethyl-10-pyridin-2-ylphenoxazine

3,7-dimethyl-10-pyridin-2-ylphenoxazine (PubChem CID 22146261) has the molecular formula C19H16N2O and a molecular weight of 288.35 g/mol. Its IUPAC name is 3,7-dimethyl-10-pyridin-2-ylphenoxazine.

Molecular Properties

Compound Name3,7-dimethyl-10-pyridin-2-ylphenoxazine
PubChem CID22146261
Molecular FormulaC19H16N2O
Molecular Weight288.35 g/mol
Exact Mass288.13
IUPAC Name3,7-dimethyl-10-pyridin-2-ylphenoxazine
SMILESCc1ccc2c(c1)Oc1cc(C)ccc1N2c1ccccn1
InChIInChI=1S/C19H16N2O/c1-13-6-8-15-17(11-13)22-18-12-14(2)7-9-16(18)21(15)19-5-3-4-10-20-19/h3-12H,1-2H3
InChIKeyZJXLIFXSZAEEBM-UHFFFAOYSA-N
XLogP5.27
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.35
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,7-dimethyl-10-pyridin-2-ylphenoxazine?
The IUPAC name of 3,7-dimethyl-10-pyridin-2-ylphenoxazine (CID 22146261) is 3,7-dimethyl-10-pyridin-2-ylphenoxazine.
What is the SMILES notation for 3,7-dimethyl-10-pyridin-2-ylphenoxazine?
The canonical SMILES for 3,7-dimethyl-10-pyridin-2-ylphenoxazine is Cc1ccc2c(c1)Oc1cc(C)ccc1N2c1ccccn1.
What is the InChIKey of 3,7-dimethyl-10-pyridin-2-ylphenoxazine?
The InChIKey is ZJXLIFXSZAEEBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O/c1-13-6-8-15-17(11-13)22-18-12-14(2)7-9-16(18)21(15)19-5-3-4-10-20-19/h3-12H,1-2H3.
What are the key properties of 3,7-dimethyl-10-pyridin-2-ylphenoxazine?
3,7-dimethyl-10-pyridin-2-ylphenoxazine has a molecular weight of 288.35 g/mol, XLogP of 5.27, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dimethyl-10-pyridin-2-ylphenoxazine is sourced from PubChem (CID 22146261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).