2-methoxy-N-(6-oxo-5H-pyrido[2,3-b][1,4]benzoxazepin-8-yl)benzamide

C20H15N3O4 — CID 71703146

IUPAC2-methoxy-N-(6-oxo-5H-pyrido[2,3-b][1,4]benzoxazepin-8-yl)benzamide
SMILESCOc1ccccc1C(=O)Nc1ccc2c(c1)C(=O)Nc1cccnc1O2
InChIInChI=1S/C20H15N3O4/c1-26-16-7-3-2-5-13(16)18(24)22-12-8-9-17-14(11-12)19(25)23-15-6-4-10-21-20(15)27-17/h2-11H,1H3,(H,22,24)(H,23,25)
InChIKeyZVULOLBQORXYOQ-UHFFFAOYSA-N
MW361.36 g/mol
LogP3.70
Rot. Bonds3

About 2-methoxy-N-(6-oxo-5H-pyrido[2,3-b][1,4]benzoxazepin-8-yl)benzamide

2-methoxy-N-(6-oxo-5H-pyrido[2,3-b][1,4]benzoxazepin-8-yl)benzamide (PubChem CID 71703146) has the molecular formula C20H15N3O4 and a molecular weight of 361.36 g/mol. Its IUPAC name is 2-methoxy-N-(6-oxo-5H-pyrido[2,3-b][1,4]benzoxazepin-8-yl)benzamide.

Molecular Properties

Compound Name2-methoxy-N-(6-oxo-5H-pyrido[2,3-b][1,4]benzoxazepin-8-yl)benzamide
PubChem CID71703146
Molecular FormulaC20H15N3O4
Molecular Weight361.36 g/mol
Exact Mass361.11
IUPAC Name2-methoxy-N-(6-oxo-5H-pyrido[2,3-b][1,4]benzoxazepin-8-yl)benzamide
SMILESCOc1ccccc1C(=O)Nc1ccc2c(c1)C(=O)Nc1cccnc1O2
InChIInChI=1S/C20H15N3O4/c1-26-16-7-3-2-5-13(16)18(24)22-12-8-9-17-14(11-12)19(25)23-15-6-4-10-21-20(15)27-17/h2-11H,1H3,(H,22,24)(H,23,25)
InChIKeyZVULOLBQORXYOQ-UHFFFAOYSA-N
XLogP3.70
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.36
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-methoxy-N-(6-oxo-5H-pyrido[2,3-b][1,4]benzoxazepin-8-yl)benzamide with MolForge

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Related Compounds

N-(3-chloro-6-oxo-5H-benzo[b][1,4]benzoxazepin-8-yl)-2,3-dimethoxybenzamide
CID 16801900
2-bromo-N-(6-oxo-5H-benzo[b][1,4]benzoxazepin-8-yl)benzamide
CID 18571385
N-(3-chloro-6-oxo-5H-benzo[b][1,4]benzoxazepin-8-yl)-4,5-dimethoxy-2-nitrobenzamide
CID 40947685
N-[4-(1,3-dioxoisoindol-5-yl)oxyphenyl]-2-methoxybenzamide
CID 2994686
3,5-dimethoxy-N-(3-methyl-6-oxo-5H-benzo[b][1,4]benzoxazepin-8-yl)benzamide
CID 40947451
3-methoxy-N-(3-methyl-6-oxo-5H-benzo[b][1,4]benzoxazepin-8-yl)benzamide
CID 40947544
3-methyl-N-(6-oxo-5H-benzo[b][1,4]benzoxazepin-8-yl)benzamide
CID 18571394
2-methoxy-N-pyridin-2-ylbenzamide;trihydrochloride
CID 175760684
4-chloro-N-(6-oxo-5H-benzo[b][1,4]benzoxazepin-8-yl)benzamide
CID 18571351
2-methoxy-N-[4-[4-[(2-methoxybenzoyl)amino]phenyl]phenyl]benzamide
CID 3299583
2-bromo-N-(1,3-dioxoisoindol-5-yl)pyridine-3-carboxamide
CID 103753980
N-(3,4-dimethoxyphenyl)-2-methoxypyridine-3-carboxamide
CID 84580737

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-(6-oxo-5H-pyrido[2,3-b][1,4]benzoxazepin-8-yl)benzamide?
The IUPAC name of 2-methoxy-N-(6-oxo-5H-pyrido[2,3-b][1,4]benzoxazepin-8-yl)benzamide (CID 71703146) is 2-methoxy-N-(6-oxo-5H-pyrido[2,3-b][1,4]benzoxazepin-8-yl)benzamide.
What is the SMILES notation for 2-methoxy-N-(6-oxo-5H-pyrido[2,3-b][1,4]benzoxazepin-8-yl)benzamide?
The canonical SMILES for 2-methoxy-N-(6-oxo-5H-pyrido[2,3-b][1,4]benzoxazepin-8-yl)benzamide is COc1ccccc1C(=O)Nc1ccc2c(c1)C(=O)Nc1cccnc1O2.
What is the InChIKey of 2-methoxy-N-(6-oxo-5H-pyrido[2,3-b][1,4]benzoxazepin-8-yl)benzamide?
The InChIKey is ZVULOLBQORXYOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O4/c1-26-16-7-3-2-5-13(16)18(24)22-12-8-9-17-14(11-12)19(25)23-15-6-4-10-21-20(15)27-17/h2-11H,1H3,(H,22,24)(H,23,25).
What are the key properties of 2-methoxy-N-(6-oxo-5H-pyrido[2,3-b][1,4]benzoxazepin-8-yl)benzamide?
2-methoxy-N-(6-oxo-5H-pyrido[2,3-b][1,4]benzoxazepin-8-yl)benzamide has a molecular weight of 361.36 g/mol, XLogP of 3.70, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-(6-oxo-5H-pyrido[2,3-b][1,4]benzoxazepin-8-yl)benzamide is sourced from PubChem (CID 71703146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).