N-[2-(azepan-1-yl)ethyl]-2-(3-oxo-2-phenylpyrido[3,2-b][1,4]oxazin-4-yl)acetamide

C23H28N4O3 — CID 22553113

IUPACN-[2-(azepan-1-yl)ethyl]-2-(3-oxo-2-phenylpyrido[3,2-b][1,4]oxazin-4-yl)acetamide
SMILESO=C(CN1C(=O)C(c2ccccc2)Oc2cccnc21)NCCN1CCCCCC1
InChIInChI=1S/C23H28N4O3/c28-20(24-13-16-26-14-6-1-2-7-15-26)17-27-22-19(11-8-12-25-22)30-21(23(27)29)18-9-4-3-5-10-18/h3-5,8-12,21H,1-2,6-7,13-17H2,(H,24,28)
InChIKeyOFBDHIIORFBSAE-UHFFFAOYSA-N
MW408.50 g/mol
LogP2.54
Rot. Bonds6

About N-[2-(azepan-1-yl)ethyl]-2-(3-oxo-2-phenylpyrido[3,2-b][1,4]oxazin-4-yl)acetamide

N-[2-(azepan-1-yl)ethyl]-2-(3-oxo-2-phenylpyrido[3,2-b][1,4]oxazin-4-yl)acetamide (PubChem CID 22553113) has the molecular formula C23H28N4O3 and a molecular weight of 408.50 g/mol. Its IUPAC name is N-[2-(azepan-1-yl)ethyl]-2-(3-oxo-2-phenylpyrido[3,2-b][1,4]oxazin-4-yl)acetamide.

Molecular Properties

Compound NameN-[2-(azepan-1-yl)ethyl]-2-(3-oxo-2-phenylpyrido[3,2-b][1,4]oxazin-4-yl)acetamide
PubChem CID22553113
Molecular FormulaC23H28N4O3
Molecular Weight408.50 g/mol
Exact Mass408.22
IUPAC NameN-[2-(azepan-1-yl)ethyl]-2-(3-oxo-2-phenylpyrido[3,2-b][1,4]oxazin-4-yl)acetamide
SMILESO=C(CN1C(=O)C(c2ccccc2)Oc2cccnc21)NCCN1CCCCCC1
InChIInChI=1S/C23H28N4O3/c28-20(24-13-16-26-14-6-1-2-7-15-26)17-27-22-19(11-8-12-25-22)30-21(23(27)29)18-9-4-3-5-10-18/h3-5,8-12,21H,1-2,6-7,13-17H2,(H,24,28)
InChIKeyOFBDHIIORFBSAE-UHFFFAOYSA-N
XLogP2.54
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-(azepan-1-yl)ethyl]-2-(3-oxo-2-phenylpyrido[3,2-b][1,4]oxazin-4-yl)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

2-(3-oxo-2-phenylpyrido[3,2-b][1,4]oxazin-4-yl)-N-propylacetamide
CID 126457874
N-(3-methylbutyl)-2-(3-oxo-2-phenylpyrido[3,2-b][1,4]oxazin-4-yl)acetamide
CID 22553101
N-[2-[butyl(ethyl)amino]ethyl]-2-(3-oxo-2-phenylpyrido[3,2-b][1,4]oxazin-4-yl)acetamide
CID 22553114
4-[(2S)-3-oxo-2-phenylpyrido[3,2-b][1,4]oxazin-4-yl]-N-[3-(4-propylpiperazin-1-yl)propyl]butanamide
CID 92764981
4-(3-oxo-2-phenylpyrido[3,2-b][1,4]oxazin-4-yl)-N-[3-(4-propylpiperazin-1-yl)propyl]butanamide
CID 22553205
N-(1,3-benzodioxol-5-ylmethyl)-2-(3-oxo-2-phenylpyrido[3,2-b][1,4]oxazin-4-yl)acetamide
CID 22553096
2-(3-oxo-2-phenylpyrido[3,2-b][1,4]oxazin-4-yl)-N-(1-phenylethyl)acetamide
CID 126458716
4-(3-oxo-2-phenylpyrido[3,2-b][1,4]oxazin-4-yl)-N-(3-propan-2-yloxypropyl)butanamide
CID 22553193
N-(3,4-dimethylphenyl)-4-(3-oxo-2-phenylpyrido[3,2-b][1,4]oxazin-4-yl)butanamide
CID 22553172
N-[(2-ethoxyphenyl)methyl]-4-(3-oxo-2-phenylpyrido[3,2-b][1,4]oxazin-4-yl)butanamide
CID 22553214
1,1-diphenyl-3-(2-pyrrolidin-1-ylethyl)urea
CID 23738363
N-(4-bromo-3-methylphenyl)-4-(3-oxo-2-phenylpyrido[3,2-b][1,4]oxazin-4-yl)butanamide
CID 22553180

Frequently Asked Questions

What is the IUPAC name of N-[2-(azepan-1-yl)ethyl]-2-(3-oxo-2-phenylpyrido[3,2-b][1,4]oxazin-4-yl)acetamide?
The IUPAC name of N-[2-(azepan-1-yl)ethyl]-2-(3-oxo-2-phenylpyrido[3,2-b][1,4]oxazin-4-yl)acetamide (CID 22553113) is N-[2-(azepan-1-yl)ethyl]-2-(3-oxo-2-phenylpyrido[3,2-b][1,4]oxazin-4-yl)acetamide.
What is the SMILES notation for N-[2-(azepan-1-yl)ethyl]-2-(3-oxo-2-phenylpyrido[3,2-b][1,4]oxazin-4-yl)acetamide?
The canonical SMILES for N-[2-(azepan-1-yl)ethyl]-2-(3-oxo-2-phenylpyrido[3,2-b][1,4]oxazin-4-yl)acetamide is O=C(CN1C(=O)C(c2ccccc2)Oc2cccnc21)NCCN1CCCCCC1.
What is the InChIKey of N-[2-(azepan-1-yl)ethyl]-2-(3-oxo-2-phenylpyrido[3,2-b][1,4]oxazin-4-yl)acetamide?
The InChIKey is OFBDHIIORFBSAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O3/c28-20(24-13-16-26-14-6-1-2-7-15-26)17-27-22-19(11-8-12-25-22)30-21(23(27)29)18-9-4-3-5-10-18/h3-5,8-12,21H,1-2,6-7,13-17H2,(H,24,28).
What are the key properties of N-[2-(azepan-1-yl)ethyl]-2-(3-oxo-2-phenylpyrido[3,2-b][1,4]oxazin-4-yl)acetamide?
N-[2-(azepan-1-yl)ethyl]-2-(3-oxo-2-phenylpyrido[3,2-b][1,4]oxazin-4-yl)acetamide has a molecular weight of 408.50 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(azepan-1-yl)ethyl]-2-(3-oxo-2-phenylpyrido[3,2-b][1,4]oxazin-4-yl)acetamide is sourced from PubChem (CID 22553113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).