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

C23H21FN2O4 — CID 134808952

IUPAC7-[(4-fluorophenyl)methoxy]-4-[(3-methoxyphenyl)methyl]-5H-pyrido[2,3-f][1,4]oxazepin-3-one
SMILESCOc1cccc(CN2Cc3nc(OCc4ccc(F)cc4)ccc3OCC2=O)c1
InChIInChI=1S/C23H21FN2O4/c1-28-19-4-2-3-17(11-19)12-26-13-20-21(29-15-23(26)27)9-10-22(25-20)30-14-16-5-7-18(24)8-6-16/h2-11H,12-15H2,1H3
InChIKeyZRZPNDSZAJKAQA-UHFFFAOYSA-N
MW408.43 g/mol
LogP3.73
Rot. Bonds6

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

7-[(4-fluorophenyl)methoxy]-4-[(3-methoxyphenyl)methyl]-5H-pyrido[2,3-f][1,4]oxazepin-3-one (PubChem CID 134808952) has the molecular formula C23H21FN2O4 and a molecular weight of 408.43 g/mol. Its IUPAC name is 7-[(4-fluorophenyl)methoxy]-4-[(3-methoxyphenyl)methyl]-5H-pyrido[2,3-f][1,4]oxazepin-3-one.

Molecular Properties

Compound Name7-[(4-fluorophenyl)methoxy]-4-[(3-methoxyphenyl)methyl]-5H-pyrido[2,3-f][1,4]oxazepin-3-one
PubChem CID134808952
Molecular FormulaC23H21FN2O4
Molecular Weight408.43 g/mol
Exact Mass408.15
IUPAC Name7-[(4-fluorophenyl)methoxy]-4-[(3-methoxyphenyl)methyl]-5H-pyrido[2,3-f][1,4]oxazepin-3-one
SMILESCOc1cccc(CN2Cc3nc(OCc4ccc(F)cc4)ccc3OCC2=O)c1
InChIInChI=1S/C23H21FN2O4/c1-28-19-4-2-3-17(11-19)12-26-13-20-21(29-15-23(26)27)9-10-22(25-20)30-14-16-5-7-18(24)8-6-16/h2-11H,12-15H2,1H3
InChIKeyZRZPNDSZAJKAQA-UHFFFAOYSA-N
XLogP3.73
TPSA60.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.43
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-[(4-fluorophenyl)methoxy]-4-[(3-methoxyphenyl)methyl]-5H-pyrido[2,3-f][1,4]oxazepin-3-one?
The IUPAC name of 7-[(4-fluorophenyl)methoxy]-4-[(3-methoxyphenyl)methyl]-5H-pyrido[2,3-f][1,4]oxazepin-3-one (CID 134808952) is 7-[(4-fluorophenyl)methoxy]-4-[(3-methoxyphenyl)methyl]-5H-pyrido[2,3-f][1,4]oxazepin-3-one.
What is the SMILES notation for 7-[(4-fluorophenyl)methoxy]-4-[(3-methoxyphenyl)methyl]-5H-pyrido[2,3-f][1,4]oxazepin-3-one?
The canonical SMILES for 7-[(4-fluorophenyl)methoxy]-4-[(3-methoxyphenyl)methyl]-5H-pyrido[2,3-f][1,4]oxazepin-3-one is COc1cccc(CN2Cc3nc(OCc4ccc(F)cc4)ccc3OCC2=O)c1.
What is the InChIKey of 7-[(4-fluorophenyl)methoxy]-4-[(3-methoxyphenyl)methyl]-5H-pyrido[2,3-f][1,4]oxazepin-3-one?
The InChIKey is ZRZPNDSZAJKAQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN2O4/c1-28-19-4-2-3-17(11-19)12-26-13-20-21(29-15-23(26)27)9-10-22(25-20)30-14-16-5-7-18(24)8-6-16/h2-11H,12-15H2,1H3.
What are the key properties of 7-[(4-fluorophenyl)methoxy]-4-[(3-methoxyphenyl)methyl]-5H-pyrido[2,3-f][1,4]oxazepin-3-one?
7-[(4-fluorophenyl)methoxy]-4-[(3-methoxyphenyl)methyl]-5H-pyrido[2,3-f][1,4]oxazepin-3-one has a molecular weight of 408.43 g/mol, XLogP of 3.73, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4-fluorophenyl)methoxy]-4-[(3-methoxyphenyl)methyl]-5H-pyrido[2,3-f][1,4]oxazepin-3-one is sourced from PubChem (CID 134808952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).