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

C22H20FN3O3 — CID 134805894

IUPAC7-(3-fluoroanilino)-4-[(3-methoxyphenyl)methyl]-5H-pyrido[2,3-f][1,4]oxazepin-3-one
SMILESCOc1cccc(CN2Cc3nc(Nc4cccc(F)c4)ccc3OCC2=O)c1
InChIInChI=1S/C22H20FN3O3/c1-28-18-7-2-4-15(10-18)12-26-13-19-20(29-14-22(26)27)8-9-21(25-19)24-17-6-3-5-16(23)11-17/h2-11H,12-14H2,1H3,(H,24,25)
InChIKeyGDMOFUBCORBNLB-UHFFFAOYSA-N
MW393.42 g/mol
LogP3.89
Rot. Bonds5

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

7-(3-fluoroanilino)-4-[(3-methoxyphenyl)methyl]-5H-pyrido[2,3-f][1,4]oxazepin-3-one (PubChem CID 134805894) has the molecular formula C22H20FN3O3 and a molecular weight of 393.42 g/mol. Its IUPAC name is 7-(3-fluoroanilino)-4-[(3-methoxyphenyl)methyl]-5H-pyrido[2,3-f][1,4]oxazepin-3-one.

Molecular Properties

Compound Name7-(3-fluoroanilino)-4-[(3-methoxyphenyl)methyl]-5H-pyrido[2,3-f][1,4]oxazepin-3-one
PubChem CID134805894
Molecular FormulaC22H20FN3O3
Molecular Weight393.42 g/mol
Exact Mass393.15
IUPAC Name7-(3-fluoroanilino)-4-[(3-methoxyphenyl)methyl]-5H-pyrido[2,3-f][1,4]oxazepin-3-one
SMILESCOc1cccc(CN2Cc3nc(Nc4cccc(F)c4)ccc3OCC2=O)c1
InChIInChI=1S/C22H20FN3O3/c1-28-18-7-2-4-15(10-18)12-26-13-19-20(29-14-22(26)27)8-9-21(25-19)24-17-6-3-5-16(23)11-17/h2-11H,12-14H2,1H3,(H,24,25)
InChIKeyGDMOFUBCORBNLB-UHFFFAOYSA-N
XLogP3.89
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.42
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

6-{[3-({[2-(3-Fluorophenyl)ethyl]amino}methyl)phenoxy]methyl}-4-Methylpyridin-2-Amine
CID 71627413
Pyridine, 2,6-bis[2-(3-methylphenoxy)-1-oxoethylamino]-
CID 563686
6-[[[4-[(1R)-1-amino-2-(7-fluoro-4-methyl-2-oxoquinolin-1-yl)ethyl]cyclohexyl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 46206324
6-[(2R,5R)-5-(4-fluorophenyl)-2-methylmorpholin-4-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 54592010
6-[(2R,5R)-5-(2-fluorophenyl)-2-methylmorpholin-4-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 54592090
6-[(2R,5R)-5-(3-fluorophenyl)-2-methylmorpholin-4-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 54592092
4-[(2-fluorophenyl)methyl]-7-(2-phenoxyethylamino)-5H-pyrido[2,3-f][1,4]oxazepin-3-one
CID 134806884
4-(2-oxo-2-pyrrolidin-1-ylethyl)-7-[4-(trifluoromethyl)anilino]-5H-pyrido[2,3-f][1,4]oxazepin-3-one
CID 134808611
2-[3-[1-[[6-(3-methoxyphenyl)-2-methylpyrimidin-4-yl]amino]ethyl]phenoxy]-N-methylacetamide
CID 70977142
N-(4-fluorobenzyl)-2-((2-(pyrrolidin-1-yl)quinolin-8-yl)oxy)acetamide
CID 18570656
N-[8-Fluoro-2-(morpholin-4-YL)quinolin-6-YL]-2-(3-methylphenoxy)acetamide
CID 50830280
7-(2-fluoroanilino)-4-[(2-fluorophenyl)methyl]-5H-pyrido[2,3-f][1,4]oxazepin-3-one
CID 134805201

Frequently Asked Questions

What is the IUPAC name of 7-(3-fluoroanilino)-4-[(3-methoxyphenyl)methyl]-5H-pyrido[2,3-f][1,4]oxazepin-3-one?
The IUPAC name of 7-(3-fluoroanilino)-4-[(3-methoxyphenyl)methyl]-5H-pyrido[2,3-f][1,4]oxazepin-3-one (CID 134805894) is 7-(3-fluoroanilino)-4-[(3-methoxyphenyl)methyl]-5H-pyrido[2,3-f][1,4]oxazepin-3-one.
What is the SMILES notation for 7-(3-fluoroanilino)-4-[(3-methoxyphenyl)methyl]-5H-pyrido[2,3-f][1,4]oxazepin-3-one?
The canonical SMILES for 7-(3-fluoroanilino)-4-[(3-methoxyphenyl)methyl]-5H-pyrido[2,3-f][1,4]oxazepin-3-one is COc1cccc(CN2Cc3nc(Nc4cccc(F)c4)ccc3OCC2=O)c1.
What is the InChIKey of 7-(3-fluoroanilino)-4-[(3-methoxyphenyl)methyl]-5H-pyrido[2,3-f][1,4]oxazepin-3-one?
The InChIKey is GDMOFUBCORBNLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN3O3/c1-28-18-7-2-4-15(10-18)12-26-13-19-20(29-14-22(26)27)8-9-21(25-19)24-17-6-3-5-16(23)11-17/h2-11H,12-14H2,1H3,(H,24,25).
What are the key properties of 7-(3-fluoroanilino)-4-[(3-methoxyphenyl)methyl]-5H-pyrido[2,3-f][1,4]oxazepin-3-one?
7-(3-fluoroanilino)-4-[(3-methoxyphenyl)methyl]-5H-pyrido[2,3-f][1,4]oxazepin-3-one has a molecular weight of 393.42 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-fluoroanilino)-4-[(3-methoxyphenyl)methyl]-5H-pyrido[2,3-f][1,4]oxazepin-3-one is sourced from PubChem (CID 134805894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).