8-methyl-6-phenyl-6,7,9,10-tetrahydro-4H-[1,4]oxazino[2,3-h][3]benzazepin-3-one

C19H20N2O2 — CID 118711272

IUPAC8-methyl-6-phenyl-6,7,9,10-tetrahydro-4H-[1,4]oxazino[2,3-h][3]benzazepin-3-one
SMILESCN1CCc2cc3c(cc2C(c2ccccc2)C1)NC(=O)CO3
InChIInChI=1S/C19H20N2O2/c1-21-8-7-14-9-18-17(20-19(22)12-23-18)10-15(14)16(11-21)13-5-3-2-4-6-13/h2-6,9-10,16H,7-8,11-12H2,1H3,(H,20,22)
InChIKeyYSGKLWGOMLHFLD-UHFFFAOYSA-N
MW308.38 g/mol
LogP2.64
Rot. Bonds1

About 8-methyl-6-phenyl-6,7,9,10-tetrahydro-4H-[1,4]oxazino[2,3-h][3]benzazepin-3-one

8-methyl-6-phenyl-6,7,9,10-tetrahydro-4H-[1,4]oxazino[2,3-h][3]benzazepin-3-one (PubChem CID 118711272) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is 8-methyl-6-phenyl-6,7,9,10-tetrahydro-4H-[1,4]oxazino[2,3-h][3]benzazepin-3-one.

Molecular Properties

Compound Name8-methyl-6-phenyl-6,7,9,10-tetrahydro-4H-[1,4]oxazino[2,3-h][3]benzazepin-3-one
PubChem CID118711272
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC Name8-methyl-6-phenyl-6,7,9,10-tetrahydro-4H-[1,4]oxazino[2,3-h][3]benzazepin-3-one
SMILESCN1CCc2cc3c(cc2C(c2ccccc2)C1)NC(=O)CO3
InChIInChI=1S/C19H20N2O2/c1-21-8-7-14-9-18-17(20-19(22)12-23-18)10-15(14)16(11-21)13-5-3-2-4-6-13/h2-6,9-10,16H,7-8,11-12H2,1H3,(H,20,22)
InChIKeyYSGKLWGOMLHFLD-UHFFFAOYSA-N
XLogP2.64
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-6-phenyl-6,7,9,10-tetrahydro-4H-[1,4]oxazino[2,3-h][3]benzazepin-3-one?
The IUPAC name of 8-methyl-6-phenyl-6,7,9,10-tetrahydro-4H-[1,4]oxazino[2,3-h][3]benzazepin-3-one (CID 118711272) is 8-methyl-6-phenyl-6,7,9,10-tetrahydro-4H-[1,4]oxazino[2,3-h][3]benzazepin-3-one.
What is the SMILES notation for 8-methyl-6-phenyl-6,7,9,10-tetrahydro-4H-[1,4]oxazino[2,3-h][3]benzazepin-3-one?
The canonical SMILES for 8-methyl-6-phenyl-6,7,9,10-tetrahydro-4H-[1,4]oxazino[2,3-h][3]benzazepin-3-one is CN1CCc2cc3c(cc2C(c2ccccc2)C1)NC(=O)CO3.
What is the InChIKey of 8-methyl-6-phenyl-6,7,9,10-tetrahydro-4H-[1,4]oxazino[2,3-h][3]benzazepin-3-one?
The InChIKey is YSGKLWGOMLHFLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2/c1-21-8-7-14-9-18-17(20-19(22)12-23-18)10-15(14)16(11-21)13-5-3-2-4-6-13/h2-6,9-10,16H,7-8,11-12H2,1H3,(H,20,22).
What are the key properties of 8-methyl-6-phenyl-6,7,9,10-tetrahydro-4H-[1,4]oxazino[2,3-h][3]benzazepin-3-one?
8-methyl-6-phenyl-6,7,9,10-tetrahydro-4H-[1,4]oxazino[2,3-h][3]benzazepin-3-one has a molecular weight of 308.38 g/mol, XLogP of 2.64, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-6-phenyl-6,7,9,10-tetrahydro-4H-[1,4]oxazino[2,3-h][3]benzazepin-3-one is sourced from PubChem (CID 118711272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).