7-(4-fluorophenyl)-4-[(3-methoxyphenyl)methyl]-5H-pyrido[2,3-f][1,4]oxazepin-3-one

C22H19FN2O3 — CID 134809297

IUPAC7-(4-fluorophenyl)-4-[(3-methoxyphenyl)methyl]-5H-pyrido[2,3-f][1,4]oxazepin-3-one
SMILESCOc1cccc(CN2Cc3nc(-c4ccc(F)cc4)ccc3OCC2=O)c1
InChIInChI=1S/C22H19FN2O3/c1-27-18-4-2-3-15(11-18)12-25-13-20-21(28-14-22(25)26)10-9-19(24-20)16-5-7-17(23)8-6-16/h2-11H,12-14H2,1H3
InChIKeyFOCRDBKBLIPJTO-UHFFFAOYSA-N
MW378.40 g/mol
LogP3.82
Rot. Bonds4

About 7-(4-fluorophenyl)-4-[(3-methoxyphenyl)methyl]-5H-pyrido[2,3-f][1,4]oxazepin-3-one

7-(4-fluorophenyl)-4-[(3-methoxyphenyl)methyl]-5H-pyrido[2,3-f][1,4]oxazepin-3-one (PubChem CID 134809297) has the molecular formula C22H19FN2O3 and a molecular weight of 378.40 g/mol. Its IUPAC name is 7-(4-fluorophenyl)-4-[(3-methoxyphenyl)methyl]-5H-pyrido[2,3-f][1,4]oxazepin-3-one.

Molecular Properties

Compound Name7-(4-fluorophenyl)-4-[(3-methoxyphenyl)methyl]-5H-pyrido[2,3-f][1,4]oxazepin-3-one
PubChem CID134809297
Molecular FormulaC22H19FN2O3
Molecular Weight378.40 g/mol
Exact Mass378.14
IUPAC Name7-(4-fluorophenyl)-4-[(3-methoxyphenyl)methyl]-5H-pyrido[2,3-f][1,4]oxazepin-3-one
SMILESCOc1cccc(CN2Cc3nc(-c4ccc(F)cc4)ccc3OCC2=O)c1
InChIInChI=1S/C22H19FN2O3/c1-27-18-4-2-3-15(11-18)12-25-13-20-21(28-14-22(25)26)10-9-19(24-20)16-5-7-17(23)8-6-16/h2-11H,12-14H2,1H3
InChIKeyFOCRDBKBLIPJTO-UHFFFAOYSA-N
XLogP3.82
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.40
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(4-fluorophenyl)-4-[(3-methoxyphenyl)methyl]-5H-pyrido[2,3-f][1,4]oxazepin-3-one?
The IUPAC name of 7-(4-fluorophenyl)-4-[(3-methoxyphenyl)methyl]-5H-pyrido[2,3-f][1,4]oxazepin-3-one (CID 134809297) is 7-(4-fluorophenyl)-4-[(3-methoxyphenyl)methyl]-5H-pyrido[2,3-f][1,4]oxazepin-3-one.
What is the SMILES notation for 7-(4-fluorophenyl)-4-[(3-methoxyphenyl)methyl]-5H-pyrido[2,3-f][1,4]oxazepin-3-one?
The canonical SMILES for 7-(4-fluorophenyl)-4-[(3-methoxyphenyl)methyl]-5H-pyrido[2,3-f][1,4]oxazepin-3-one is COc1cccc(CN2Cc3nc(-c4ccc(F)cc4)ccc3OCC2=O)c1.
What is the InChIKey of 7-(4-fluorophenyl)-4-[(3-methoxyphenyl)methyl]-5H-pyrido[2,3-f][1,4]oxazepin-3-one?
The InChIKey is FOCRDBKBLIPJTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN2O3/c1-27-18-4-2-3-15(11-18)12-25-13-20-21(28-14-22(25)26)10-9-19(24-20)16-5-7-17(23)8-6-16/h2-11H,12-14H2,1H3.
What are the key properties of 7-(4-fluorophenyl)-4-[(3-methoxyphenyl)methyl]-5H-pyrido[2,3-f][1,4]oxazepin-3-one?
7-(4-fluorophenyl)-4-[(3-methoxyphenyl)methyl]-5H-pyrido[2,3-f][1,4]oxazepin-3-one has a molecular weight of 378.40 g/mol, XLogP of 3.82, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-fluorophenyl)-4-[(3-methoxyphenyl)methyl]-5H-pyrido[2,3-f][1,4]oxazepin-3-one is sourced from PubChem (CID 134809297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).