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

C22H19FN2O3 — CID 134806892

IUPAC4-benzyl-7-(3-fluoro-4-methoxyphenyl)-5H-pyrido[2,3-f][1,4]oxazepin-3-one
SMILESCOc1ccc(-c2ccc3c(n2)CN(Cc2ccccc2)C(=O)CO3)cc1F
InChIInChI=1S/C22H19FN2O3/c1-27-20-9-7-16(11-17(20)23)18-8-10-21-19(24-18)13-25(22(26)14-28-21)12-15-5-3-2-4-6-15/h2-11H,12-14H2,1H3
InChIKeyFDCDTULVHCVAET-UHFFFAOYSA-N
MW378.40 g/mol
LogP3.82
Rot. Bonds4

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

4-benzyl-7-(3-fluoro-4-methoxyphenyl)-5H-pyrido[2,3-f][1,4]oxazepin-3-one (PubChem CID 134806892) has the molecular formula C22H19FN2O3 and a molecular weight of 378.40 g/mol. Its IUPAC name is 4-benzyl-7-(3-fluoro-4-methoxyphenyl)-5H-pyrido[2,3-f][1,4]oxazepin-3-one.

Molecular Properties

Compound Name4-benzyl-7-(3-fluoro-4-methoxyphenyl)-5H-pyrido[2,3-f][1,4]oxazepin-3-one
PubChem CID134806892
Molecular FormulaC22H19FN2O3
Molecular Weight378.40 g/mol
Exact Mass378.14
IUPAC Name4-benzyl-7-(3-fluoro-4-methoxyphenyl)-5H-pyrido[2,3-f][1,4]oxazepin-3-one
SMILESCOc1ccc(-c2ccc3c(n2)CN(Cc2ccccc2)C(=O)CO3)cc1F
InChIInChI=1S/C22H19FN2O3/c1-27-20-9-7-16(11-17(20)23)18-8-10-21-19(24-18)13-25(22(26)14-28-21)12-15-5-3-2-4-6-15/h2-11H,12-14H2,1H3
InChIKeyFDCDTULVHCVAET-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

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Related Compounds

2-[4-(4-Fluorophenoxy)phenyl]-6-methyl-4-(2-piperidin-1-ylethoxy)pyridine
CID 10179509
4-[(2-fluorophenyl)methyl]-7-(2-phenoxyethylamino)-5H-pyrido[2,3-f][1,4]oxazepin-3-one
CID 134806884
7-(3-fluoro-4-methoxyphenyl)-4-[(2-methyl-1,3-thiazol-4-yl)methyl]-5H-pyrido[2,3-f][1,4]oxazepin-3-one
CID 134806905
2-(2-methoxyphenyl)-4-[(6-methyl-2-pyridinyl)methyl]-3,5-dihydro-2H-1,4-benzoxazepine
CID 45167388
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
7-(4-fluorophenyl)-4-[(2-fluorophenyl)methyl]-5H-pyrido[2,3-f][1,4]oxazepin-3-one
CID 134805575
4-[(2-fluorophenyl)methyl]-7-phenylmethoxy-5H-pyrido[2,3-f][1,4]oxazepin-3-one
CID 134805893
7-(3-fluoroanilino)-4-[(3-methoxyphenyl)methyl]-5H-pyrido[2,3-f][1,4]oxazepin-3-one
CID 134805894
4-[(4-fluorophenyl)methyl]-7-(4-methoxyphenyl)-5H-pyrido[2,3-f][1,4]oxazepin-3-one
CID 134805909
4-[(4-fluorophenyl)methyl]-7-(N-methylanilino)-5H-pyrido[2,3-f][1,4]oxazepin-3-one
CID 134806522
4-[(4-fluorophenyl)methyl]-7-pyridin-4-yl-5H-pyrido[2,3-f][1,4]oxazepin-3-one
CID 134806875

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-7-(3-fluoro-4-methoxyphenyl)-5H-pyrido[2,3-f][1,4]oxazepin-3-one?
The IUPAC name of 4-benzyl-7-(3-fluoro-4-methoxyphenyl)-5H-pyrido[2,3-f][1,4]oxazepin-3-one (CID 134806892) is 4-benzyl-7-(3-fluoro-4-methoxyphenyl)-5H-pyrido[2,3-f][1,4]oxazepin-3-one.
What is the SMILES notation for 4-benzyl-7-(3-fluoro-4-methoxyphenyl)-5H-pyrido[2,3-f][1,4]oxazepin-3-one?
The canonical SMILES for 4-benzyl-7-(3-fluoro-4-methoxyphenyl)-5H-pyrido[2,3-f][1,4]oxazepin-3-one is COc1ccc(-c2ccc3c(n2)CN(Cc2ccccc2)C(=O)CO3)cc1F.
What is the InChIKey of 4-benzyl-7-(3-fluoro-4-methoxyphenyl)-5H-pyrido[2,3-f][1,4]oxazepin-3-one?
The InChIKey is FDCDTULVHCVAET-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN2O3/c1-27-20-9-7-16(11-17(20)23)18-8-10-21-19(24-18)13-25(22(26)14-28-21)12-15-5-3-2-4-6-15/h2-11H,12-14H2,1H3.
What are the key properties of 4-benzyl-7-(3-fluoro-4-methoxyphenyl)-5H-pyrido[2,3-f][1,4]oxazepin-3-one?
4-benzyl-7-(3-fluoro-4-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-benzyl-7-(3-fluoro-4-methoxyphenyl)-5H-pyrido[2,3-f][1,4]oxazepin-3-one is sourced from PubChem (CID 134806892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).