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

C23H22N2O4 — CID 134805191

IUPAC7-(4-methoxyphenyl)-4-(2-phenoxyethyl)-5H-pyrido[2,3-f][1,4]oxazepin-3-one
SMILESCOc1ccc(-c2ccc3c(n2)CN(CCOc2ccccc2)C(=O)CO3)cc1
InChIInChI=1S/C23H22N2O4/c1-27-18-9-7-17(8-10-18)20-11-12-22-21(24-20)15-25(23(26)16-29-22)13-14-28-19-5-3-2-4-6-19/h2-12H,13-16H2,1H3
InChIKeyHAWPYPUGJVZLAY-UHFFFAOYSA-N
MW390.44 g/mol
LogP3.56
Rot. Bonds6

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

7-(4-methoxyphenyl)-4-(2-phenoxyethyl)-5H-pyrido[2,3-f][1,4]oxazepin-3-one (PubChem CID 134805191) has the molecular formula C23H22N2O4 and a molecular weight of 390.44 g/mol. Its IUPAC name is 7-(4-methoxyphenyl)-4-(2-phenoxyethyl)-5H-pyrido[2,3-f][1,4]oxazepin-3-one.

Molecular Properties

Compound Name7-(4-methoxyphenyl)-4-(2-phenoxyethyl)-5H-pyrido[2,3-f][1,4]oxazepin-3-one
PubChem CID134805191
Molecular FormulaC23H22N2O4
Molecular Weight390.44 g/mol
Exact Mass390.16
IUPAC Name7-(4-methoxyphenyl)-4-(2-phenoxyethyl)-5H-pyrido[2,3-f][1,4]oxazepin-3-one
SMILESCOc1ccc(-c2ccc3c(n2)CN(CCOc2ccccc2)C(=O)CO3)cc1
InChIInChI=1S/C23H22N2O4/c1-27-18-9-7-17(8-10-18)20-11-12-22-21(24-20)15-25(23(26)16-29-22)13-14-28-19-5-3-2-4-6-19/h2-12H,13-16H2,1H3
InChIKeyHAWPYPUGJVZLAY-UHFFFAOYSA-N
XLogP3.56
TPSA60.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(4-methoxyphenyl)-4-(2-phenoxyethyl)-5H-pyrido[2,3-f][1,4]oxazepin-3-one?
The IUPAC name of 7-(4-methoxyphenyl)-4-(2-phenoxyethyl)-5H-pyrido[2,3-f][1,4]oxazepin-3-one (CID 134805191) is 7-(4-methoxyphenyl)-4-(2-phenoxyethyl)-5H-pyrido[2,3-f][1,4]oxazepin-3-one.
What is the SMILES notation for 7-(4-methoxyphenyl)-4-(2-phenoxyethyl)-5H-pyrido[2,3-f][1,4]oxazepin-3-one?
The canonical SMILES for 7-(4-methoxyphenyl)-4-(2-phenoxyethyl)-5H-pyrido[2,3-f][1,4]oxazepin-3-one is COc1ccc(-c2ccc3c(n2)CN(CCOc2ccccc2)C(=O)CO3)cc1.
What is the InChIKey of 7-(4-methoxyphenyl)-4-(2-phenoxyethyl)-5H-pyrido[2,3-f][1,4]oxazepin-3-one?
The InChIKey is HAWPYPUGJVZLAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O4/c1-27-18-9-7-17(8-10-18)20-11-12-22-21(24-20)15-25(23(26)16-29-22)13-14-28-19-5-3-2-4-6-19/h2-12H,13-16H2,1H3.
What are the key properties of 7-(4-methoxyphenyl)-4-(2-phenoxyethyl)-5H-pyrido[2,3-f][1,4]oxazepin-3-one?
7-(4-methoxyphenyl)-4-(2-phenoxyethyl)-5H-pyrido[2,3-f][1,4]oxazepin-3-one has a molecular weight of 390.44 g/mol, XLogP of 3.56, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-methoxyphenyl)-4-(2-phenoxyethyl)-5H-pyrido[2,3-f][1,4]oxazepin-3-one is sourced from PubChem (CID 134805191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).