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

C17H17ClFN3O3 — CID 134805565

IUPAC7-(3-chloro-4-fluoroanilino)-4-(2-methoxyethyl)-5H-pyrido[2,3-f][1,4]oxazepin-3-one
SMILESCOCCN1Cc2nc(Nc3ccc(F)c(Cl)c3)ccc2OCC1=O
InChIInChI=1S/C17H17ClFN3O3/c1-24-7-6-22-9-14-15(25-10-17(22)23)4-5-16(21-14)20-11-2-3-13(19)12(18)8-11/h2-5,8H,6-7,9-10H2,1H3,(H,20,21)
InChIKeyJNLRQSTWMKFCEX-UHFFFAOYSA-N
MW365.79 g/mol
LogP2.99
Rot. Bonds5

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

7-(3-chloro-4-fluoroanilino)-4-(2-methoxyethyl)-5H-pyrido[2,3-f][1,4]oxazepin-3-one (PubChem CID 134805565) has the molecular formula C17H17ClFN3O3 and a molecular weight of 365.79 g/mol. Its IUPAC name is 7-(3-chloro-4-fluoroanilino)-4-(2-methoxyethyl)-5H-pyrido[2,3-f][1,4]oxazepin-3-one.

Molecular Properties

Compound Name7-(3-chloro-4-fluoroanilino)-4-(2-methoxyethyl)-5H-pyrido[2,3-f][1,4]oxazepin-3-one
PubChem CID134805565
Molecular FormulaC17H17ClFN3O3
Molecular Weight365.79 g/mol
Exact Mass365.09
IUPAC Name7-(3-chloro-4-fluoroanilino)-4-(2-methoxyethyl)-5H-pyrido[2,3-f][1,4]oxazepin-3-one
SMILESCOCCN1Cc2nc(Nc3ccc(F)c(Cl)c3)ccc2OCC1=O
InChIInChI=1S/C17H17ClFN3O3/c1-24-7-6-22-9-14-15(25-10-17(22)23)4-5-16(21-14)20-11-2-3-13(19)12(18)8-11/h2-5,8H,6-7,9-10H2,1H3,(H,20,21)
InChIKeyJNLRQSTWMKFCEX-UHFFFAOYSA-N
XLogP2.99
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.79
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

N-(2-chlorophenyl)-2-[methyl-[2-[(6-methyl-2-nitro-3-pyridinyl)oxy]acetyl]amino]acetamide
CID 16306009
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-(3-Chloro-4-fluorophenyl)-2-methyl-3-oxo-4-(propan-2-YL)-2H,3H,4H-pyrido[3,2-B][1,4]oxazine-2-carboxamide
CID 53040345
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
4-(2-methoxyethyl)-7-[4-(trifluoromethyl)anilino]-5H-pyrido[2,3-f][1,4]oxazepin-3-one
CID 134805884
7-(3-fluoroanilino)-4-[(3-methoxyphenyl)methyl]-5H-pyrido[2,3-f][1,4]oxazepin-3-one
CID 134805894
4-[(4-fluorophenyl)methyl]-7-(N-methylanilino)-5H-pyrido[2,3-f][1,4]oxazepin-3-one
CID 134806522
4-[(2-fluorophenyl)methyl]-7-(4-methoxyanilino)-5H-pyrido[2,3-f][1,4]oxazepin-3-one
CID 134806879
7-[(3-fluorophenyl)methylamino]-4-[(2-methylphenyl)methyl]-5H-pyrido[2,3-f][1,4]oxazepin-3-one
CID 134808953
7-(3-fluoroanilino)-4-(2-phenoxyethyl)-5H-pyrido[2,3-f][1,4]oxazepin-3-one
CID 134808969

Frequently Asked Questions

What is the IUPAC name of 7-(3-chloro-4-fluoroanilino)-4-(2-methoxyethyl)-5H-pyrido[2,3-f][1,4]oxazepin-3-one?
The IUPAC name of 7-(3-chloro-4-fluoroanilino)-4-(2-methoxyethyl)-5H-pyrido[2,3-f][1,4]oxazepin-3-one (CID 134805565) is 7-(3-chloro-4-fluoroanilino)-4-(2-methoxyethyl)-5H-pyrido[2,3-f][1,4]oxazepin-3-one.
What is the SMILES notation for 7-(3-chloro-4-fluoroanilino)-4-(2-methoxyethyl)-5H-pyrido[2,3-f][1,4]oxazepin-3-one?
The canonical SMILES for 7-(3-chloro-4-fluoroanilino)-4-(2-methoxyethyl)-5H-pyrido[2,3-f][1,4]oxazepin-3-one is COCCN1Cc2nc(Nc3ccc(F)c(Cl)c3)ccc2OCC1=O.
What is the InChIKey of 7-(3-chloro-4-fluoroanilino)-4-(2-methoxyethyl)-5H-pyrido[2,3-f][1,4]oxazepin-3-one?
The InChIKey is JNLRQSTWMKFCEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClFN3O3/c1-24-7-6-22-9-14-15(25-10-17(22)23)4-5-16(21-14)20-11-2-3-13(19)12(18)8-11/h2-5,8H,6-7,9-10H2,1H3,(H,20,21).
What are the key properties of 7-(3-chloro-4-fluoroanilino)-4-(2-methoxyethyl)-5H-pyrido[2,3-f][1,4]oxazepin-3-one?
7-(3-chloro-4-fluoroanilino)-4-(2-methoxyethyl)-5H-pyrido[2,3-f][1,4]oxazepin-3-one has a molecular weight of 365.79 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-chloro-4-fluoroanilino)-4-(2-methoxyethyl)-5H-pyrido[2,3-f][1,4]oxazepin-3-one is sourced from PubChem (CID 134805565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).