4-[(3-fluorophenyl)methyl]-2-[(4-methoxyphenoxy)methyl]-8-methyl-2,3-dihydropyrido[3,2-f][1,4]oxazepin-5-one

C24H23FN2O4 — CID 134787006

IUPAC4-[(3-fluorophenyl)methyl]-2-[(4-methoxyphenoxy)methyl]-8-methyl-2,3-dihydropyrido[3,2-f][1,4]oxazepin-5-one
SMILESCOc1ccc(OCC2CN(Cc3cccc(F)c3)C(=O)c3ccc(C)nc3O2)cc1
InChIInChI=1S/C24H23FN2O4/c1-16-6-11-22-23(26-16)31-21(15-30-20-9-7-19(29-2)8-10-20)14-27(24(22)28)13-17-4-3-5-18(25)12-17/h3-12,21H,13-15H2,1-2H3
InChIKeyZTXPEKAPMKKHSC-UHFFFAOYSA-N
MW422.46 g/mol
LogP4.02
Rot. Bonds6

About 4-[(3-fluorophenyl)methyl]-2-[(4-methoxyphenoxy)methyl]-8-methyl-2,3-dihydropyrido[3,2-f][1,4]oxazepin-5-one

4-[(3-fluorophenyl)methyl]-2-[(4-methoxyphenoxy)methyl]-8-methyl-2,3-dihydropyrido[3,2-f][1,4]oxazepin-5-one (PubChem CID 134787006) has the molecular formula C24H23FN2O4 and a molecular weight of 422.46 g/mol. Its IUPAC name is 4-[(3-fluorophenyl)methyl]-2-[(4-methoxyphenoxy)methyl]-8-methyl-2,3-dihydropyrido[3,2-f][1,4]oxazepin-5-one.

Molecular Properties

Compound Name4-[(3-fluorophenyl)methyl]-2-[(4-methoxyphenoxy)methyl]-8-methyl-2,3-dihydropyrido[3,2-f][1,4]oxazepin-5-one
PubChem CID134787006
Molecular FormulaC24H23FN2O4
Molecular Weight422.46 g/mol
Exact Mass422.16
IUPAC Name4-[(3-fluorophenyl)methyl]-2-[(4-methoxyphenoxy)methyl]-8-methyl-2,3-dihydropyrido[3,2-f][1,4]oxazepin-5-one
SMILESCOc1ccc(OCC2CN(Cc3cccc(F)c3)C(=O)c3ccc(C)nc3O2)cc1
InChIInChI=1S/C24H23FN2O4/c1-16-6-11-22-23(26-16)31-21(15-30-20-9-7-19(29-2)8-10-20)14-27(24(22)28)13-17-4-3-5-18(25)12-17/h3-12,21H,13-15H2,1-2H3
InChIKeyZTXPEKAPMKKHSC-UHFFFAOYSA-N
XLogP4.02
TPSA60.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.46
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-((3-fluorophenoxy)methyl)-6-(4-fluorophenyl)-7,8-dihydro-1,6-naphthyridin-5(6H)-one
CID 68008456
6-(4-Fluorophenyl)-2-(phenoxymethyl)-7,8-dihydro-1,6-naphthyridin-5-one
CID 90645521
N-cycloheptyl-2-[(4-fluorophenyl)methoxy]-5-(4-methoxyphenyl)-6-methylpyridine-3-carboxamide
CID 162653908
N-cycloheptyl-2-[(4-fluorophenyl)methoxy]-6-methylpyridine-3-carboxamide
CID 162655994
6-Benzyl-2-[(3-fluorophenoxy)methyl]-7,8-dihydro-1,6-naphthyridin-5-one
CID 90645515
2-[(3-Fluorophenoxy)methyl]-6-(2-methylpropyl)-7,8-dihydro-1,6-naphthyridin-5-one
CID 90645518
4-[(3-Fluorophenyl)methyl]-8-methyl-2-propyl-2,3-dihydropyrido[3,2-f][1,4]oxazepin-5-one
CID 134786600
[5-Chloro-2-(4-fluorophenoxy)-4,6-dimethylpyridin-3-yl](morpholin-4-yl)methanone
CID 1260476
5-chloro-N-ethyl-2-(4-fluorophenoxy)-4,6-dimethyl-N-phenylpyridine-3-carboxamide
CID 3453004
2-[(3-Fluorophenoxy)methyl]-6-methyl-7,8-dihydro-1,6-naphthyridin-5-one
CID 68105453
N-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 2812189
2-[2-(Dimethylamino)ethyl]-4-methyl-2,3-dihydro-[1,4]oxazepino[7,6-b]quinolin-5-one
CID 14097141

Frequently Asked Questions

What is the IUPAC name of 4-[(3-fluorophenyl)methyl]-2-[(4-methoxyphenoxy)methyl]-8-methyl-2,3-dihydropyrido[3,2-f][1,4]oxazepin-5-one?
The IUPAC name of 4-[(3-fluorophenyl)methyl]-2-[(4-methoxyphenoxy)methyl]-8-methyl-2,3-dihydropyrido[3,2-f][1,4]oxazepin-5-one (CID 134787006) is 4-[(3-fluorophenyl)methyl]-2-[(4-methoxyphenoxy)methyl]-8-methyl-2,3-dihydropyrido[3,2-f][1,4]oxazepin-5-one.
What is the SMILES notation for 4-[(3-fluorophenyl)methyl]-2-[(4-methoxyphenoxy)methyl]-8-methyl-2,3-dihydropyrido[3,2-f][1,4]oxazepin-5-one?
The canonical SMILES for 4-[(3-fluorophenyl)methyl]-2-[(4-methoxyphenoxy)methyl]-8-methyl-2,3-dihydropyrido[3,2-f][1,4]oxazepin-5-one is COc1ccc(OCC2CN(Cc3cccc(F)c3)C(=O)c3ccc(C)nc3O2)cc1.
What is the InChIKey of 4-[(3-fluorophenyl)methyl]-2-[(4-methoxyphenoxy)methyl]-8-methyl-2,3-dihydropyrido[3,2-f][1,4]oxazepin-5-one?
The InChIKey is ZTXPEKAPMKKHSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN2O4/c1-16-6-11-22-23(26-16)31-21(15-30-20-9-7-19(29-2)8-10-20)14-27(24(22)28)13-17-4-3-5-18(25)12-17/h3-12,21H,13-15H2,1-2H3.
What are the key properties of 4-[(3-fluorophenyl)methyl]-2-[(4-methoxyphenoxy)methyl]-8-methyl-2,3-dihydropyrido[3,2-f][1,4]oxazepin-5-one?
4-[(3-fluorophenyl)methyl]-2-[(4-methoxyphenoxy)methyl]-8-methyl-2,3-dihydropyrido[3,2-f][1,4]oxazepin-5-one has a molecular weight of 422.46 g/mol, XLogP of 4.02, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-fluorophenyl)methyl]-2-[(4-methoxyphenoxy)methyl]-8-methyl-2,3-dihydropyrido[3,2-f][1,4]oxazepin-5-one is sourced from PubChem (CID 134787006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).