7-(3-fluoroanilino)-4-(2-phenoxyethyl)-5H-pyrido[2,3-f][1,4]oxazepin-3-one

C22H20FN3O3 — CID 134808969

IUPAC7-(3-fluoroanilino)-4-(2-phenoxyethyl)-5H-pyrido[2,3-f][1,4]oxazepin-3-one
SMILESO=C1COc2ccc(Nc3cccc(F)c3)nc2CN1CCOc1ccccc1
InChIInChI=1S/C22H20FN3O3/c23-16-5-4-6-17(13-16)24-21-10-9-20-19(25-21)14-26(22(27)15-29-20)11-12-28-18-7-2-1-3-8-18/h1-10,13H,11-12,14-15H2,(H,24,25)
InChIKeyNAFYHJJKIZZSNH-UHFFFAOYSA-N
MW393.42 g/mol
LogP3.76
Rot. Bonds6

About 7-(3-fluoroanilino)-4-(2-phenoxyethyl)-5H-pyrido[2,3-f][1,4]oxazepin-3-one

7-(3-fluoroanilino)-4-(2-phenoxyethyl)-5H-pyrido[2,3-f][1,4]oxazepin-3-one (PubChem CID 134808969) has the molecular formula C22H20FN3O3 and a molecular weight of 393.42 g/mol. Its IUPAC name is 7-(3-fluoroanilino)-4-(2-phenoxyethyl)-5H-pyrido[2,3-f][1,4]oxazepin-3-one.

Molecular Properties

Compound Name7-(3-fluoroanilino)-4-(2-phenoxyethyl)-5H-pyrido[2,3-f][1,4]oxazepin-3-one
PubChem CID134808969
Molecular FormulaC22H20FN3O3
Molecular Weight393.42 g/mol
Exact Mass393.15
IUPAC Name7-(3-fluoroanilino)-4-(2-phenoxyethyl)-5H-pyrido[2,3-f][1,4]oxazepin-3-one
SMILESO=C1COc2ccc(Nc3cccc(F)c3)nc2CN1CCOc1ccccc1
InChIInChI=1S/C22H20FN3O3/c23-16-5-4-6-17(13-16)24-21-10-9-20-19(25-21)14-26(22(27)15-29-20)11-12-28-18-7-2-1-3-8-18/h1-10,13H,11-12,14-15H2,(H,24,25)
InChIKeyNAFYHJJKIZZSNH-UHFFFAOYSA-N
XLogP3.76
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.42
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 7-(3-fluoroanilino)-4-(2-phenoxyethyl)-5H-pyrido[2,3-f][1,4]oxazepin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-(3-fluoroanilino)-4-(2-phenoxyethyl)-5H-pyrido[2,3-f][1,4]oxazepin-3-one?
The IUPAC name of 7-(3-fluoroanilino)-4-(2-phenoxyethyl)-5H-pyrido[2,3-f][1,4]oxazepin-3-one (CID 134808969) is 7-(3-fluoroanilino)-4-(2-phenoxyethyl)-5H-pyrido[2,3-f][1,4]oxazepin-3-one.
What is the SMILES notation for 7-(3-fluoroanilino)-4-(2-phenoxyethyl)-5H-pyrido[2,3-f][1,4]oxazepin-3-one?
The canonical SMILES for 7-(3-fluoroanilino)-4-(2-phenoxyethyl)-5H-pyrido[2,3-f][1,4]oxazepin-3-one is O=C1COc2ccc(Nc3cccc(F)c3)nc2CN1CCOc1ccccc1.
What is the InChIKey of 7-(3-fluoroanilino)-4-(2-phenoxyethyl)-5H-pyrido[2,3-f][1,4]oxazepin-3-one?
The InChIKey is NAFYHJJKIZZSNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN3O3/c23-16-5-4-6-17(13-16)24-21-10-9-20-19(25-21)14-26(22(27)15-29-20)11-12-28-18-7-2-1-3-8-18/h1-10,13H,11-12,14-15H2,(H,24,25).
What are the key properties of 7-(3-fluoroanilino)-4-(2-phenoxyethyl)-5H-pyrido[2,3-f][1,4]oxazepin-3-one?
7-(3-fluoroanilino)-4-(2-phenoxyethyl)-5H-pyrido[2,3-f][1,4]oxazepin-3-one has a molecular weight of 393.42 g/mol, XLogP of 3.76, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-fluoroanilino)-4-(2-phenoxyethyl)-5H-pyrido[2,3-f][1,4]oxazepin-3-one is sourced from PubChem (CID 134808969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).