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

C21H17F2N3O2 — CID 134805549

IUPAC7-(2-fluoroanilino)-4-[(4-fluorophenyl)methyl]-5H-pyrido[2,3-f][1,4]oxazepin-3-one
SMILESO=C1COc2ccc(Nc3ccccc3F)nc2CN1Cc1ccc(F)cc1
InChIInChI=1S/C21H17F2N3O2/c22-15-7-5-14(6-8-15)11-26-12-18-19(28-13-21(26)27)9-10-20(25-18)24-17-4-2-1-3-16(17)23/h1-10H,11-13H2,(H,24,25)
InChIKeyHXEIRHTZHVGUHS-UHFFFAOYSA-N
MW381.38 g/mol
LogP4.02
Rot. Bonds4

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

7-(2-fluoroanilino)-4-[(4-fluorophenyl)methyl]-5H-pyrido[2,3-f][1,4]oxazepin-3-one (PubChem CID 134805549) has the molecular formula C21H17F2N3O2 and a molecular weight of 381.38 g/mol. Its IUPAC name is 7-(2-fluoroanilino)-4-[(4-fluorophenyl)methyl]-5H-pyrido[2,3-f][1,4]oxazepin-3-one.

Molecular Properties

Compound Name7-(2-fluoroanilino)-4-[(4-fluorophenyl)methyl]-5H-pyrido[2,3-f][1,4]oxazepin-3-one
PubChem CID134805549
Molecular FormulaC21H17F2N3O2
Molecular Weight381.38 g/mol
Exact Mass381.13
IUPAC Name7-(2-fluoroanilino)-4-[(4-fluorophenyl)methyl]-5H-pyrido[2,3-f][1,4]oxazepin-3-one
SMILESO=C1COc2ccc(Nc3ccccc3F)nc2CN1Cc1ccc(F)cc1
InChIInChI=1S/C21H17F2N3O2/c22-15-7-5-14(6-8-15)11-26-12-18-19(28-13-21(26)27)9-10-20(25-18)24-17-4-2-1-3-16(17)23/h1-10H,11-13H2,(H,24,25)
InChIKeyHXEIRHTZHVGUHS-UHFFFAOYSA-N
XLogP4.02
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.38
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

1-(3-Benzyloxy-2-pyridyl)-3-(2,4-difluorophenyl)urea
CID 11717355
6-[[[4-[(1R)-1-amino-2-(7-fluoro-2-oxoquinoxalin-1-yl)ethyl]cyclohexyl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 46205674
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
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-(4-fluorophenoxy)acetamide
CID 50830342
N-(3-phenoxyphenyl)-8-(trifluoromethyl)-1,2,3,5-tetrahydropyrido[2,3-e][1,4]diazepine-4-carboxamide
CID 76336003
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-(2-fluoroanilino)-4-[(4-fluorophenyl)methyl]-5H-pyrido[2,3-f][1,4]oxazepin-3-one?
The IUPAC name of 7-(2-fluoroanilino)-4-[(4-fluorophenyl)methyl]-5H-pyrido[2,3-f][1,4]oxazepin-3-one (CID 134805549) is 7-(2-fluoroanilino)-4-[(4-fluorophenyl)methyl]-5H-pyrido[2,3-f][1,4]oxazepin-3-one.
What is the SMILES notation for 7-(2-fluoroanilino)-4-[(4-fluorophenyl)methyl]-5H-pyrido[2,3-f][1,4]oxazepin-3-one?
The canonical SMILES for 7-(2-fluoroanilino)-4-[(4-fluorophenyl)methyl]-5H-pyrido[2,3-f][1,4]oxazepin-3-one is O=C1COc2ccc(Nc3ccccc3F)nc2CN1Cc1ccc(F)cc1.
What is the InChIKey of 7-(2-fluoroanilino)-4-[(4-fluorophenyl)methyl]-5H-pyrido[2,3-f][1,4]oxazepin-3-one?
The InChIKey is HXEIRHTZHVGUHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F2N3O2/c22-15-7-5-14(6-8-15)11-26-12-18-19(28-13-21(26)27)9-10-20(25-18)24-17-4-2-1-3-16(17)23/h1-10H,11-13H2,(H,24,25).
What are the key properties of 7-(2-fluoroanilino)-4-[(4-fluorophenyl)methyl]-5H-pyrido[2,3-f][1,4]oxazepin-3-one?
7-(2-fluoroanilino)-4-[(4-fluorophenyl)methyl]-5H-pyrido[2,3-f][1,4]oxazepin-3-one has a molecular weight of 381.38 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-fluoroanilino)-4-[(4-fluorophenyl)methyl]-5H-pyrido[2,3-f][1,4]oxazepin-3-one is sourced from PubChem (CID 134805549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).