2-(8-methyl-5-oxopyrido[2,3-b][1,5]benzoxazepin-6-yl)-N-(2-methylphenyl)acetamide

C22H19N3O3 — CID 20908997

IUPAC2-(8-methyl-5-oxopyrido[2,3-b][1,5]benzoxazepin-6-yl)-N-(2-methylphenyl)acetamide
SMILESCc1ccc2c(c1)N(CC(=O)Nc1ccccc1C)C(=O)c1cccnc1O2
InChIInChI=1S/C22H19N3O3/c1-14-9-10-19-18(12-14)25(22(27)16-7-5-11-23-21(16)28-19)13-20(26)24-17-8-4-3-6-15(17)2/h3-12H,13H2,1-2H3,(H,24,26)
InChIKeyKGMPZUIZOTWLPE-UHFFFAOYSA-N
MW373.41 g/mol
LogP4.09
Rot. Bonds3

About 2-(8-methyl-5-oxopyrido[2,3-b][1,5]benzoxazepin-6-yl)-N-(2-methylphenyl)acetamide

2-(8-methyl-5-oxopyrido[2,3-b][1,5]benzoxazepin-6-yl)-N-(2-methylphenyl)acetamide (PubChem CID 20908997) has the molecular formula C22H19N3O3 and a molecular weight of 373.41 g/mol. Its IUPAC name is 2-(8-methyl-5-oxopyrido[2,3-b][1,5]benzoxazepin-6-yl)-N-(2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(8-methyl-5-oxopyrido[2,3-b][1,5]benzoxazepin-6-yl)-N-(2-methylphenyl)acetamide
PubChem CID20908997
Molecular FormulaC22H19N3O3
Molecular Weight373.41 g/mol
Exact Mass373.14
IUPAC Name2-(8-methyl-5-oxopyrido[2,3-b][1,5]benzoxazepin-6-yl)-N-(2-methylphenyl)acetamide
SMILESCc1ccc2c(c1)N(CC(=O)Nc1ccccc1C)C(=O)c1cccnc1O2
InChIInChI=1S/C22H19N3O3/c1-14-9-10-19-18(12-14)25(22(27)16-7-5-11-23-21(16)28-19)13-20(26)24-17-8-4-3-6-15(17)2/h3-12H,13H2,1-2H3,(H,24,26)
InChIKeyKGMPZUIZOTWLPE-UHFFFAOYSA-N
XLogP4.09
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(8-methyl-5-oxopyrido[2,3-b][1,5]benzoxazepin-6-yl)-N-(2-methylphenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2,4-dimethylphenyl)-2-(8-methyl-5-oxopyrido[2,3-b][1,5]benzoxazepin-6-yl)acetamide
CID 20908998
N-(2,3-dimethylphenyl)-2-(8-methyl-5-oxopyrido[2,3-b][1,5]benzoxazepin-6-yl)acetamide
CID 20908990
2-(8-chloro-5-oxopyrido[2,3-b][1,5]benzoxazepin-6-yl)-N-(2,6-dimethylphenyl)acetamide
CID 20909064
N-(2-chlorophenyl)-2-(5-oxopyrido[2,3-b][1,5]benzoxazepin-6-yl)acetamide
CID 20908896
N-benzyl-4-(8-methyl-5-oxopyrido[2,3-b][1,5]benzoxazepin-6-yl)butanamide
CID 20909169
2-(2,6-dimethyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2-methylphenyl)acetamide
CID 3225025
3-(8-methyl-5-oxopyrido[2,3-b][1,5]benzoxazepin-6-yl)-N-[(3-methylphenyl)methyl]propanamide
CID 46275520
2-(8-chloro-5-oxopyrido[2,3-b][1,5]benzoxazepin-6-yl)-N-propan-2-ylacetamide
CID 20909078
2-(8-chloro-5-oxopyrido[2,3-b][1,5]benzoxazepin-6-yl)acetic acid
CID 20887664
N-[2-(cyclohexen-1-yl)ethyl]-3-(8-methyl-5-oxopyrido[2,3-b][1,5]benzoxazepin-6-yl)propanamide
CID 46275526
4-(8-methyl-5-oxopyrido[2,3-b][1,5]benzoxazepin-6-yl)-N-[(4-propoxyphenyl)methyl]butanamide
CID 20909195
N-(2-amino-4-methylphenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 28867092

Frequently Asked Questions

What is the IUPAC name of 2-(8-methyl-5-oxopyrido[2,3-b][1,5]benzoxazepin-6-yl)-N-(2-methylphenyl)acetamide?
The IUPAC name of 2-(8-methyl-5-oxopyrido[2,3-b][1,5]benzoxazepin-6-yl)-N-(2-methylphenyl)acetamide (CID 20908997) is 2-(8-methyl-5-oxopyrido[2,3-b][1,5]benzoxazepin-6-yl)-N-(2-methylphenyl)acetamide.
What is the SMILES notation for 2-(8-methyl-5-oxopyrido[2,3-b][1,5]benzoxazepin-6-yl)-N-(2-methylphenyl)acetamide?
The canonical SMILES for 2-(8-methyl-5-oxopyrido[2,3-b][1,5]benzoxazepin-6-yl)-N-(2-methylphenyl)acetamide is Cc1ccc2c(c1)N(CC(=O)Nc1ccccc1C)C(=O)c1cccnc1O2.
What is the InChIKey of 2-(8-methyl-5-oxopyrido[2,3-b][1,5]benzoxazepin-6-yl)-N-(2-methylphenyl)acetamide?
The InChIKey is KGMPZUIZOTWLPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O3/c1-14-9-10-19-18(12-14)25(22(27)16-7-5-11-23-21(16)28-19)13-20(26)24-17-8-4-3-6-15(17)2/h3-12H,13H2,1-2H3,(H,24,26).
What are the key properties of 2-(8-methyl-5-oxopyrido[2,3-b][1,5]benzoxazepin-6-yl)-N-(2-methylphenyl)acetamide?
2-(8-methyl-5-oxopyrido[2,3-b][1,5]benzoxazepin-6-yl)-N-(2-methylphenyl)acetamide has a molecular weight of 373.41 g/mol, XLogP of 4.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-methyl-5-oxopyrido[2,3-b][1,5]benzoxazepin-6-yl)-N-(2-methylphenyl)acetamide is sourced from PubChem (CID 20908997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).