4-[(2-methylphenyl)methyl]-7-(pyridin-3-ylmethoxy)-5H-pyrido[2,3-f][1,4]oxazepin-3-one

C22H21N3O3 — CID 134808607

IUPAC4-[(2-methylphenyl)methyl]-7-(pyridin-3-ylmethoxy)-5H-pyrido[2,3-f][1,4]oxazepin-3-one
SMILESCc1ccccc1CN1Cc2nc(OCc3cccnc3)ccc2OCC1=O
InChIInChI=1S/C22H21N3O3/c1-16-5-2-3-7-18(16)12-25-13-19-20(27-15-22(25)26)8-9-21(24-19)28-14-17-6-4-10-23-11-17/h2-11H,12-15H2,1H3
InChIKeyWJKWXGUZZVXNEI-UHFFFAOYSA-N
MW375.43 g/mol
LogP3.29
Rot. Bonds5

About 4-[(2-methylphenyl)methyl]-7-(pyridin-3-ylmethoxy)-5H-pyrido[2,3-f][1,4]oxazepin-3-one

4-[(2-methylphenyl)methyl]-7-(pyridin-3-ylmethoxy)-5H-pyrido[2,3-f][1,4]oxazepin-3-one (PubChem CID 134808607) has the molecular formula C22H21N3O3 and a molecular weight of 375.43 g/mol. Its IUPAC name is 4-[(2-methylphenyl)methyl]-7-(pyridin-3-ylmethoxy)-5H-pyrido[2,3-f][1,4]oxazepin-3-one.

Molecular Properties

Compound Name4-[(2-methylphenyl)methyl]-7-(pyridin-3-ylmethoxy)-5H-pyrido[2,3-f][1,4]oxazepin-3-one
PubChem CID134808607
Molecular FormulaC22H21N3O3
Molecular Weight375.43 g/mol
Exact Mass375.16
IUPAC Name4-[(2-methylphenyl)methyl]-7-(pyridin-3-ylmethoxy)-5H-pyrido[2,3-f][1,4]oxazepin-3-one
SMILESCc1ccccc1CN1Cc2nc(OCc3cccnc3)ccc2OCC1=O
InChIInChI=1S/C22H21N3O3/c1-16-5-2-3-7-18(16)12-25-13-19-20(27-15-22(25)26)8-9-21(24-19)28-14-17-6-4-10-23-11-17/h2-11H,12-15H2,1H3
InChIKeyWJKWXGUZZVXNEI-UHFFFAOYSA-N
XLogP3.29
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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Related Compounds

7-[(4-fluorophenyl)methoxy]-4-(2-phenoxyethyl)-5H-pyrido[2,3-f][1,4]oxazepin-3-one
CID 134808621
N-[(2-methylphenyl)methyl]-2-(3-oxo-1,4-benzoxazin-4-yl)-N-(pyridin-3-ylmethyl)acetamide
CID 55983609
3-fluoro-2-methyl-6-(pyridin-3-ylmethoxy)pyridine
CID 126954055
2-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-N-(pyridin-3-ylmethyl)acetamide
CID 110770413
3-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]pyridine
CID 99964672
3-[(2-benzylphenoxy)methyl]pyridine
CID 112814185
4-benzyl-5H-1,4-benzoxazepin-3-one
CID 22665722
(6S)-4-[(2-methyl-1H-imidazol-5-yl)methyl]-6-phenylmethoxy-1-(pyridin-3-ylmethyl)-1,4-diazepan-2-one
CID 26136003
2-(pyridin-3-ylmethoxy)pyrazine
CID 90915376
6-iodo-4-[(2-methylphenyl)methyl]-1,4-benzoxazin-3-one
CID 79784983
1,5-dimethyl-7-[5-[(2-methylphenyl)methyl-[2-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]ethyl]amino]pentoxy]-1,5-benzodiazepine-2,4-dione
CID 70660070
3-[[2-(pyridin-3-ylmethoxy)phenoxy]methyl]pyridine
CID 102197893

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methylphenyl)methyl]-7-(pyridin-3-ylmethoxy)-5H-pyrido[2,3-f][1,4]oxazepin-3-one?
The IUPAC name of 4-[(2-methylphenyl)methyl]-7-(pyridin-3-ylmethoxy)-5H-pyrido[2,3-f][1,4]oxazepin-3-one (CID 134808607) is 4-[(2-methylphenyl)methyl]-7-(pyridin-3-ylmethoxy)-5H-pyrido[2,3-f][1,4]oxazepin-3-one.
What is the SMILES notation for 4-[(2-methylphenyl)methyl]-7-(pyridin-3-ylmethoxy)-5H-pyrido[2,3-f][1,4]oxazepin-3-one?
The canonical SMILES for 4-[(2-methylphenyl)methyl]-7-(pyridin-3-ylmethoxy)-5H-pyrido[2,3-f][1,4]oxazepin-3-one is Cc1ccccc1CN1Cc2nc(OCc3cccnc3)ccc2OCC1=O.
What is the InChIKey of 4-[(2-methylphenyl)methyl]-7-(pyridin-3-ylmethoxy)-5H-pyrido[2,3-f][1,4]oxazepin-3-one?
The InChIKey is WJKWXGUZZVXNEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O3/c1-16-5-2-3-7-18(16)12-25-13-19-20(27-15-22(25)26)8-9-21(24-19)28-14-17-6-4-10-23-11-17/h2-11H,12-15H2,1H3.
What are the key properties of 4-[(2-methylphenyl)methyl]-7-(pyridin-3-ylmethoxy)-5H-pyrido[2,3-f][1,4]oxazepin-3-one?
4-[(2-methylphenyl)methyl]-7-(pyridin-3-ylmethoxy)-5H-pyrido[2,3-f][1,4]oxazepin-3-one has a molecular weight of 375.43 g/mol, XLogP of 3.29, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methylphenyl)methyl]-7-(pyridin-3-ylmethoxy)-5H-pyrido[2,3-f][1,4]oxazepin-3-one is sourced from PubChem (CID 134808607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).