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

C22H19FN2O3 — CID 134805909

IUPAC4-[(4-fluorophenyl)methyl]-7-(4-methoxyphenyl)-5H-pyrido[2,3-f][1,4]oxazepin-3-one
SMILESCOc1ccc(-c2ccc3c(n2)CN(Cc2ccc(F)cc2)C(=O)CO3)cc1
InChIInChI=1S/C22H19FN2O3/c1-27-18-8-4-16(5-9-18)19-10-11-21-20(24-19)13-25(22(26)14-28-21)12-15-2-6-17(23)7-3-15/h2-11H,12-14H2,1H3
InChIKeyUUZVVSYQDLBOHD-UHFFFAOYSA-N
MW378.40 g/mol
LogP3.82
Rot. Bonds4

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

4-[(4-fluorophenyl)methyl]-7-(4-methoxyphenyl)-5H-pyrido[2,3-f][1,4]oxazepin-3-one (PubChem CID 134805909) has the molecular formula C22H19FN2O3 and a molecular weight of 378.40 g/mol. Its IUPAC name is 4-[(4-fluorophenyl)methyl]-7-(4-methoxyphenyl)-5H-pyrido[2,3-f][1,4]oxazepin-3-one.

Molecular Properties

Compound Name4-[(4-fluorophenyl)methyl]-7-(4-methoxyphenyl)-5H-pyrido[2,3-f][1,4]oxazepin-3-one
PubChem CID134805909
Molecular FormulaC22H19FN2O3
Molecular Weight378.40 g/mol
Exact Mass378.14
IUPAC Name4-[(4-fluorophenyl)methyl]-7-(4-methoxyphenyl)-5H-pyrido[2,3-f][1,4]oxazepin-3-one
SMILESCOc1ccc(-c2ccc3c(n2)CN(Cc2ccc(F)cc2)C(=O)CO3)cc1
InChIInChI=1S/C22H19FN2O3/c1-27-18-8-4-16(5-9-18)19-10-11-21-20(24-19)13-25(22(26)14-28-21)12-15-2-6-17(23)7-3-15/h2-11H,12-14H2,1H3
InChIKeyUUZVVSYQDLBOHD-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 4-[(4-fluorophenyl)methyl]-7-(4-methoxyphenyl)-5H-pyrido[2,3-f][1,4]oxazepin-3-one?
The IUPAC name of 4-[(4-fluorophenyl)methyl]-7-(4-methoxyphenyl)-5H-pyrido[2,3-f][1,4]oxazepin-3-one (CID 134805909) is 4-[(4-fluorophenyl)methyl]-7-(4-methoxyphenyl)-5H-pyrido[2,3-f][1,4]oxazepin-3-one.
What is the SMILES notation for 4-[(4-fluorophenyl)methyl]-7-(4-methoxyphenyl)-5H-pyrido[2,3-f][1,4]oxazepin-3-one?
The canonical SMILES for 4-[(4-fluorophenyl)methyl]-7-(4-methoxyphenyl)-5H-pyrido[2,3-f][1,4]oxazepin-3-one is COc1ccc(-c2ccc3c(n2)CN(Cc2ccc(F)cc2)C(=O)CO3)cc1.
What is the InChIKey of 4-[(4-fluorophenyl)methyl]-7-(4-methoxyphenyl)-5H-pyrido[2,3-f][1,4]oxazepin-3-one?
The InChIKey is UUZVVSYQDLBOHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN2O3/c1-27-18-8-4-16(5-9-18)19-10-11-21-20(24-19)13-25(22(26)14-28-21)12-15-2-6-17(23)7-3-15/h2-11H,12-14H2,1H3.
What are the key properties of 4-[(4-fluorophenyl)methyl]-7-(4-methoxyphenyl)-5H-pyrido[2,3-f][1,4]oxazepin-3-one?
4-[(4-fluorophenyl)methyl]-7-(4-methoxyphenyl)-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 4-[(4-fluorophenyl)methyl]-7-(4-methoxyphenyl)-5H-pyrido[2,3-f][1,4]oxazepin-3-one is sourced from PubChem (CID 134805909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).