7-(3-fluoro-4-methoxyphenyl)-4,5-dihydropyrido[2,3-f][1,4]oxazepin-3-one

C15H13FN2O3 — CID 134810608

IUPAC7-(3-fluoro-4-methoxyphenyl)-4,5-dihydropyrido[2,3-f][1,4]oxazepin-3-one
SMILESCOc1ccc(-c2ccc3c(n2)CNC(=O)CO3)cc1F
InChIInChI=1S/C15H13FN2O3/c1-20-13-4-2-9(6-10(13)16)11-3-5-14-12(18-11)7-17-15(19)8-21-14/h2-6H,7-8H2,1H3,(H,17,19)
InChIKeyFKZFYXCBARNTRT-UHFFFAOYSA-N
MW288.28 g/mol
LogP1.90
Rot. Bonds2

About 7-(3-fluoro-4-methoxyphenyl)-4,5-dihydropyrido[2,3-f][1,4]oxazepin-3-one

7-(3-fluoro-4-methoxyphenyl)-4,5-dihydropyrido[2,3-f][1,4]oxazepin-3-one (PubChem CID 134810608) has the molecular formula C15H13FN2O3 and a molecular weight of 288.28 g/mol. Its IUPAC name is 7-(3-fluoro-4-methoxyphenyl)-4,5-dihydropyrido[2,3-f][1,4]oxazepin-3-one.

Molecular Properties

Compound Name7-(3-fluoro-4-methoxyphenyl)-4,5-dihydropyrido[2,3-f][1,4]oxazepin-3-one
PubChem CID134810608
Molecular FormulaC15H13FN2O3
Molecular Weight288.28 g/mol
Exact Mass288.09
IUPAC Name7-(3-fluoro-4-methoxyphenyl)-4,5-dihydropyrido[2,3-f][1,4]oxazepin-3-one
SMILESCOc1ccc(-c2ccc3c(n2)CNC(=O)CO3)cc1F
InChIInChI=1S/C15H13FN2O3/c1-20-13-4-2-9(6-10(13)16)11-3-5-14-12(18-11)7-17-15(19)8-21-14/h2-6H,7-8H2,1H3,(H,17,19)
InChIKeyFKZFYXCBARNTRT-UHFFFAOYSA-N
XLogP1.90
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.28
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-(3-fluoro-4-methoxyphenyl)-4-[(2-methyl-1,3-thiazol-4-yl)methyl]-5H-pyrido[2,3-f][1,4]oxazepin-3-one
CID 134806905
3-(3-fluoro-4-methoxyphenyl)-1H-pyridazine-6-thione
CID 82083568
4-(3-fluoro-4-methoxyphenyl)-2-propan-2-yl-1,3-thiazole
CID 59333191
2-amino-2-[4-(3-fluoro-4-methoxyphenyl)pyrimidin-2-yl]ethanol
CID 116902164
6-(3-fluoro-4-methoxyphenyl)-1,3λ4-benzoxathiole 3-oxide
CID 142599746
[4-(3-fluoro-4-methoxyphenyl)pyrimidin-2-yl]methanamine
CID 82475463
5-(3-fluoro-4-methoxyphenyl)-1H-pyrimidine-2,4-dione
CID 53222321
4-(3-fluoro-4-methoxyphenyl)-6-methylpyrimidine-2-carboxamide
CID 116897045
4-(3-fluoro-4-methoxyphenyl)-2-methoxy-6-methylpyrimidine
CID 116896805
2-(3-fluoro-4-methoxyphenyl)pyrimidine
CID 134263784
1,2-difluoro-4-(3-fluoro-4-methoxyphenyl)benzene
CID 18930756
3-(3-fluoro-4-methoxyphenyl)-4-(4-methoxyphenyl)-1H-pyridazin-6-one
CID 18369367

Frequently Asked Questions

What is the IUPAC name of 7-(3-fluoro-4-methoxyphenyl)-4,5-dihydropyrido[2,3-f][1,4]oxazepin-3-one?
The IUPAC name of 7-(3-fluoro-4-methoxyphenyl)-4,5-dihydropyrido[2,3-f][1,4]oxazepin-3-one (CID 134810608) is 7-(3-fluoro-4-methoxyphenyl)-4,5-dihydropyrido[2,3-f][1,4]oxazepin-3-one.
What is the SMILES notation for 7-(3-fluoro-4-methoxyphenyl)-4,5-dihydropyrido[2,3-f][1,4]oxazepin-3-one?
The canonical SMILES for 7-(3-fluoro-4-methoxyphenyl)-4,5-dihydropyrido[2,3-f][1,4]oxazepin-3-one is COc1ccc(-c2ccc3c(n2)CNC(=O)CO3)cc1F.
What is the InChIKey of 7-(3-fluoro-4-methoxyphenyl)-4,5-dihydropyrido[2,3-f][1,4]oxazepin-3-one?
The InChIKey is FKZFYXCBARNTRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O3/c1-20-13-4-2-9(6-10(13)16)11-3-5-14-12(18-11)7-17-15(19)8-21-14/h2-6H,7-8H2,1H3,(H,17,19).
What are the key properties of 7-(3-fluoro-4-methoxyphenyl)-4,5-dihydropyrido[2,3-f][1,4]oxazepin-3-one?
7-(3-fluoro-4-methoxyphenyl)-4,5-dihydropyrido[2,3-f][1,4]oxazepin-3-one has a molecular weight of 288.28 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-fluoro-4-methoxyphenyl)-4,5-dihydropyrido[2,3-f][1,4]oxazepin-3-one is sourced from PubChem (CID 134810608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).