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

C22H19FN2O3 — CID 134807996

IUPAC4-[(4-fluorophenyl)methyl]-7-(3-methoxyphenyl)-5H-pyrido[2,3-f][1,4]oxazepin-3-one
SMILESCOc1cccc(-c2ccc3c(n2)CN(Cc2ccc(F)cc2)C(=O)CO3)c1
InChIInChI=1S/C22H19FN2O3/c1-27-18-4-2-3-16(11-18)19-9-10-21-20(24-19)13-25(22(26)14-28-21)12-15-5-7-17(23)8-6-15/h2-11H,12-14H2,1H3
InChIKeyNFBDKIMSFAWFOT-UHFFFAOYSA-N
MW378.40 g/mol
LogP3.82
Rot. Bonds4

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

4-[(4-fluorophenyl)methyl]-7-(3-methoxyphenyl)-5H-pyrido[2,3-f][1,4]oxazepin-3-one (PubChem CID 134807996) has the molecular formula C22H19FN2O3 and a molecular weight of 378.40 g/mol. Its IUPAC name is 4-[(4-fluorophenyl)methyl]-7-(3-methoxyphenyl)-5H-pyrido[2,3-f][1,4]oxazepin-3-one.

Molecular Properties

Compound Name4-[(4-fluorophenyl)methyl]-7-(3-methoxyphenyl)-5H-pyrido[2,3-f][1,4]oxazepin-3-one
PubChem CID134807996
Molecular FormulaC22H19FN2O3
Molecular Weight378.40 g/mol
Exact Mass378.14
IUPAC Name4-[(4-fluorophenyl)methyl]-7-(3-methoxyphenyl)-5H-pyrido[2,3-f][1,4]oxazepin-3-one
SMILESCOc1cccc(-c2ccc3c(n2)CN(Cc2ccc(F)cc2)C(=O)CO3)c1
InChIInChI=1S/C22H19FN2O3/c1-27-18-4-2-3-16(11-18)19-9-10-21-20(24-19)13-25(22(26)14-28-21)12-15-5-7-17(23)8-6-15/h2-11H,12-14H2,1H3
InChIKeyNFBDKIMSFAWFOT-UHFFFAOYSA-N
XLogP3.82
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.40
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

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Related Compounds

N-[[3-(2-fluoroethoxy)phenyl]methyl]-N-(4-phenoxy-3-pyridinyl)acetamide
CID 70695162
1-(2,3-Dihydroindol-1-yl)-2-(2-methylquinolin-8-yl)oxyethanone
CID 2461903
1-(3,5-Dimethylpiperidin-1-yl)-2-(2-methylquinolin-8-yl)oxyethanone
CID 4879089
N-methyl-2-(3-methylphenoxy)-N-[2-(2-pyridinyl)ethyl]acetamide
CID 936563
4-[(2-fluorophenyl)methyl]-7-(2-phenoxyethylamino)-5H-pyrido[2,3-f][1,4]oxazepin-3-one
CID 134806884
2-[methyl-[2-(2-methylquinolin-8-yl)oxyacetyl]amino]-N-(4-methylphenyl)acetamide
CID 4786344
N-(4-fluorophenyl)-2-[methyl-[2-(2-methylquinolin-8-yl)oxyacetyl]amino]acetamide
CID 4783267
2-(2-methoxyphenyl)-4-[(6-methyl-2-pyridinyl)methyl]-3,5-dihydro-2H-1,4-benzoxazepine
CID 45167388
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-fluorophenyl)methyl]-7-(pyridin-3-ylmethoxy)-5H-pyrido[2,3-f][1,4]oxazepin-3-one
CID 134805561
4-benzyl-7-(3,5-difluorophenyl)-5H-pyrido[2,3-f][1,4]oxazepin-3-one
CID 134805573

Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluorophenyl)methyl]-7-(3-methoxyphenyl)-5H-pyrido[2,3-f][1,4]oxazepin-3-one?
The IUPAC name of 4-[(4-fluorophenyl)methyl]-7-(3-methoxyphenyl)-5H-pyrido[2,3-f][1,4]oxazepin-3-one (CID 134807996) is 4-[(4-fluorophenyl)methyl]-7-(3-methoxyphenyl)-5H-pyrido[2,3-f][1,4]oxazepin-3-one.
What is the SMILES notation for 4-[(4-fluorophenyl)methyl]-7-(3-methoxyphenyl)-5H-pyrido[2,3-f][1,4]oxazepin-3-one?
The canonical SMILES for 4-[(4-fluorophenyl)methyl]-7-(3-methoxyphenyl)-5H-pyrido[2,3-f][1,4]oxazepin-3-one is COc1cccc(-c2ccc3c(n2)CN(Cc2ccc(F)cc2)C(=O)CO3)c1.
What is the InChIKey of 4-[(4-fluorophenyl)methyl]-7-(3-methoxyphenyl)-5H-pyrido[2,3-f][1,4]oxazepin-3-one?
The InChIKey is NFBDKIMSFAWFOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN2O3/c1-27-18-4-2-3-16(11-18)19-9-10-21-20(24-19)13-25(22(26)14-28-21)12-15-5-7-17(23)8-6-15/h2-11H,12-14H2,1H3.
What are the key properties of 4-[(4-fluorophenyl)methyl]-7-(3-methoxyphenyl)-5H-pyrido[2,3-f][1,4]oxazepin-3-one?
4-[(4-fluorophenyl)methyl]-7-(3-methoxyphenyl)-5H-pyrido[2,3-f][1,4]oxazepin-3-one has a molecular weight of 378.40 g/mol, XLogP of 3.82, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluorophenyl)methyl]-7-(3-methoxyphenyl)-5H-pyrido[2,3-f][1,4]oxazepin-3-one is sourced from PubChem (CID 134807996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).