3-methyl-2-phenyl-6H-isochromeno[4,3-c]pyridin-1-one

C19H15NO2 — CID 132933509

IUPAC3-methyl-2-phenyl-6H-isochromeno[4,3-c]pyridin-1-one
SMILESCc1cc2c(c(=O)n1-c1ccccc1)-c1ccccc1CO2
InChIInChI=1S/C19H15NO2/c1-13-11-17-18(16-10-6-5-7-14(16)12-22-17)19(21)20(13)15-8-3-2-4-9-15/h2-11H,12H2,1H3
InChIKeyAGVNOQHKBGFXCU-UHFFFAOYSA-N
MW289.33 g/mol
LogP3.71
Rot. Bonds1

About 3-methyl-2-phenyl-6H-isochromeno[4,3-c]pyridin-1-one

3-methyl-2-phenyl-6H-isochromeno[4,3-c]pyridin-1-one (PubChem CID 132933509) has the molecular formula C19H15NO2 and a molecular weight of 289.33 g/mol. Its IUPAC name is 3-methyl-2-phenyl-6H-isochromeno[4,3-c]pyridin-1-one.

Molecular Properties

Compound Name3-methyl-2-phenyl-6H-isochromeno[4,3-c]pyridin-1-one
PubChem CID132933509
Molecular FormulaC19H15NO2
Molecular Weight289.33 g/mol
Exact Mass289.11
IUPAC Name3-methyl-2-phenyl-6H-isochromeno[4,3-c]pyridin-1-one
SMILESCc1cc2c(c(=O)n1-c1ccccc1)-c1ccccc1CO2
InChIInChI=1S/C19H15NO2/c1-13-11-17-18(16-10-6-5-7-14(16)12-22-17)19(21)20(13)15-8-3-2-4-9-15/h2-11H,12H2,1H3
InChIKeyAGVNOQHKBGFXCU-UHFFFAOYSA-N
XLogP3.71
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-phenyl-6H-isochromeno[4,3-c]pyridin-1-one?
The IUPAC name of 3-methyl-2-phenyl-6H-isochromeno[4,3-c]pyridin-1-one (CID 132933509) is 3-methyl-2-phenyl-6H-isochromeno[4,3-c]pyridin-1-one.
What is the SMILES notation for 3-methyl-2-phenyl-6H-isochromeno[4,3-c]pyridin-1-one?
The canonical SMILES for 3-methyl-2-phenyl-6H-isochromeno[4,3-c]pyridin-1-one is Cc1cc2c(c(=O)n1-c1ccccc1)-c1ccccc1CO2.
What is the InChIKey of 3-methyl-2-phenyl-6H-isochromeno[4,3-c]pyridin-1-one?
The InChIKey is AGVNOQHKBGFXCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NO2/c1-13-11-17-18(16-10-6-5-7-14(16)12-22-17)19(21)20(13)15-8-3-2-4-9-15/h2-11H,12H2,1H3.
What are the key properties of 3-methyl-2-phenyl-6H-isochromeno[4,3-c]pyridin-1-one?
3-methyl-2-phenyl-6H-isochromeno[4,3-c]pyridin-1-one has a molecular weight of 289.33 g/mol, XLogP of 3.71, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-phenyl-6H-isochromeno[4,3-c]pyridin-1-one is sourced from PubChem (CID 132933509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).