3,7-dimethyl-1-pyridin-2-yl-10H-phenoxazine

C19H16N2O — CID 151544815

IUPAC3,7-dimethyl-1-pyridin-2-yl-10H-phenoxazine
SMILESCc1ccc2c(c1)Oc1cc(C)cc(-c3ccccn3)c1N2
InChIInChI=1S/C19H16N2O/c1-12-6-7-16-17(10-12)22-18-11-13(2)9-14(19(18)21-16)15-5-3-4-8-20-15/h3-11,21H,1-2H3
InChIKeyPZFOGRLKHHFNDZ-UHFFFAOYSA-N
MW288.35 g/mol
LogP5.21
Rot. Bonds1

About 3,7-dimethyl-1-pyridin-2-yl-10H-phenoxazine

3,7-dimethyl-1-pyridin-2-yl-10H-phenoxazine (PubChem CID 151544815) has the molecular formula C19H16N2O and a molecular weight of 288.35 g/mol. Its IUPAC name is 3,7-dimethyl-1-pyridin-2-yl-10H-phenoxazine.

Molecular Properties

Compound Name3,7-dimethyl-1-pyridin-2-yl-10H-phenoxazine
PubChem CID151544815
Molecular FormulaC19H16N2O
Molecular Weight288.35 g/mol
Exact Mass288.13
IUPAC Name3,7-dimethyl-1-pyridin-2-yl-10H-phenoxazine
SMILESCc1ccc2c(c1)Oc1cc(C)cc(-c3ccccn3)c1N2
InChIInChI=1S/C19H16N2O/c1-12-6-7-16-17(10-12)22-18-11-13(2)9-14(19(18)21-16)15-5-3-4-8-20-15/h3-11,21H,1-2H3
InChIKeyPZFOGRLKHHFNDZ-UHFFFAOYSA-N
XLogP5.21
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.35
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,7-dimethyl-1-pyridin-2-yl-10H-phenoxazine?
The IUPAC name of 3,7-dimethyl-1-pyridin-2-yl-10H-phenoxazine (CID 151544815) is 3,7-dimethyl-1-pyridin-2-yl-10H-phenoxazine.
What is the SMILES notation for 3,7-dimethyl-1-pyridin-2-yl-10H-phenoxazine?
The canonical SMILES for 3,7-dimethyl-1-pyridin-2-yl-10H-phenoxazine is Cc1ccc2c(c1)Oc1cc(C)cc(-c3ccccn3)c1N2.
What is the InChIKey of 3,7-dimethyl-1-pyridin-2-yl-10H-phenoxazine?
The InChIKey is PZFOGRLKHHFNDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O/c1-12-6-7-16-17(10-12)22-18-11-13(2)9-14(19(18)21-16)15-5-3-4-8-20-15/h3-11,21H,1-2H3.
What are the key properties of 3,7-dimethyl-1-pyridin-2-yl-10H-phenoxazine?
3,7-dimethyl-1-pyridin-2-yl-10H-phenoxazine has a molecular weight of 288.35 g/mol, XLogP of 5.21, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dimethyl-1-pyridin-2-yl-10H-phenoxazine is sourced from PubChem (CID 151544815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).