4-(2-methoxyethyl)-7-[4-(trifluoromethyl)anilino]-5H-pyrido[2,3-f][1,4]oxazepin-3-one

C18H18F3N3O3 — CID 134805884

IUPAC4-(2-methoxyethyl)-7-[4-(trifluoromethyl)anilino]-5H-pyrido[2,3-f][1,4]oxazepin-3-one
SMILESCOCCN1Cc2nc(Nc3ccc(C(F)(F)F)cc3)ccc2OCC1=O
InChIInChI=1S/C18H18F3N3O3/c1-26-9-8-24-10-14-15(27-11-17(24)25)6-7-16(23-14)22-13-4-2-12(3-5-13)18(19,20)21/h2-7H,8-11H2,1H3,(H,22,23)
InChIKeyGHBZJNUBDLKZSD-UHFFFAOYSA-N
MW381.35 g/mol
LogP3.21
Rot. Bonds5

About 4-(2-methoxyethyl)-7-[4-(trifluoromethyl)anilino]-5H-pyrido[2,3-f][1,4]oxazepin-3-one

4-(2-methoxyethyl)-7-[4-(trifluoromethyl)anilino]-5H-pyrido[2,3-f][1,4]oxazepin-3-one (PubChem CID 134805884) has the molecular formula C18H18F3N3O3 and a molecular weight of 381.35 g/mol. Its IUPAC name is 4-(2-methoxyethyl)-7-[4-(trifluoromethyl)anilino]-5H-pyrido[2,3-f][1,4]oxazepin-3-one.

Molecular Properties

Compound Name4-(2-methoxyethyl)-7-[4-(trifluoromethyl)anilino]-5H-pyrido[2,3-f][1,4]oxazepin-3-one
PubChem CID134805884
Molecular FormulaC18H18F3N3O3
Molecular Weight381.35 g/mol
Exact Mass381.13
IUPAC Name4-(2-methoxyethyl)-7-[4-(trifluoromethyl)anilino]-5H-pyrido[2,3-f][1,4]oxazepin-3-one
SMILESCOCCN1Cc2nc(Nc3ccc(C(F)(F)F)cc3)ccc2OCC1=O
InChIInChI=1S/C18H18F3N3O3/c1-26-9-8-24-10-14-15(27-11-17(24)25)6-7-16(23-14)22-13-4-2-12(3-5-13)18(19,20)21/h2-7H,8-11H2,1H3,(H,22,23)
InChIKeyGHBZJNUBDLKZSD-UHFFFAOYSA-N
XLogP3.21
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.35
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(2-methoxyethyl)-7-[4-(trifluoromethyl)anilino]-5H-pyrido[2,3-f][1,4]oxazepin-3-one with MolForge

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Related Compounds

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
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-[(1S)-1-[4-[1-[6-(trifluoromethyl)pyridin-2-yl]azetidin-3-yl]oxyphenyl]ethyl]acetamide
CID 89643504
N-[(1S)-1-[4-[(3R)-1-[6-(trifluoromethyl)pyridin-2-yl]pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide
CID 90302049
N-[(1S)-1-[4-[1-[6-(difluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide
CID 90315418
2,2-difluoro-N-[(1S)-1-[4-[1-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide
CID 91668753
N-[(1S)-1-[4-[1-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]oxyphenyl]ethyl]propanamide
CID 91668760
2-hydroxy-N-[(1S)-1-[4-[1-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide
CID 91668880
N-(2-ethylphenyl)-2-[methyl-[2-[(6-methyl-2-nitro-3-pyridinyl)oxy]acetyl]amino]acetamide
CID 5694301
7-(2-fluoroanilino)-4-[(2-fluorophenyl)methyl]-5H-pyrido[2,3-f][1,4]oxazepin-3-one
CID 134805201
7-(2-fluoroanilino)-4-[(4-fluorophenyl)methyl]-5H-pyrido[2,3-f][1,4]oxazepin-3-one
CID 134805549

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyethyl)-7-[4-(trifluoromethyl)anilino]-5H-pyrido[2,3-f][1,4]oxazepin-3-one?
The IUPAC name of 4-(2-methoxyethyl)-7-[4-(trifluoromethyl)anilino]-5H-pyrido[2,3-f][1,4]oxazepin-3-one (CID 134805884) is 4-(2-methoxyethyl)-7-[4-(trifluoromethyl)anilino]-5H-pyrido[2,3-f][1,4]oxazepin-3-one.
What is the SMILES notation for 4-(2-methoxyethyl)-7-[4-(trifluoromethyl)anilino]-5H-pyrido[2,3-f][1,4]oxazepin-3-one?
The canonical SMILES for 4-(2-methoxyethyl)-7-[4-(trifluoromethyl)anilino]-5H-pyrido[2,3-f][1,4]oxazepin-3-one is COCCN1Cc2nc(Nc3ccc(C(F)(F)F)cc3)ccc2OCC1=O.
What is the InChIKey of 4-(2-methoxyethyl)-7-[4-(trifluoromethyl)anilino]-5H-pyrido[2,3-f][1,4]oxazepin-3-one?
The InChIKey is GHBZJNUBDLKZSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3N3O3/c1-26-9-8-24-10-14-15(27-11-17(24)25)6-7-16(23-14)22-13-4-2-12(3-5-13)18(19,20)21/h2-7H,8-11H2,1H3,(H,22,23).
What are the key properties of 4-(2-methoxyethyl)-7-[4-(trifluoromethyl)anilino]-5H-pyrido[2,3-f][1,4]oxazepin-3-one?
4-(2-methoxyethyl)-7-[4-(trifluoromethyl)anilino]-5H-pyrido[2,3-f][1,4]oxazepin-3-one has a molecular weight of 381.35 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyethyl)-7-[4-(trifluoromethyl)anilino]-5H-pyrido[2,3-f][1,4]oxazepin-3-one is sourced from PubChem (CID 134805884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).