N-(2-morpholin-4-ylethyl)-2-(5-oxopyrido[2,3-b][1,5]benzoxazepin-6-yl)acetamide

C20H22N4O4 — CID 20908953

IUPACN-(2-morpholin-4-ylethyl)-2-(5-oxopyrido[2,3-b][1,5]benzoxazepin-6-yl)acetamide
SMILESO=C(CN1C(=O)c2cccnc2Oc2ccccc21)NCCN1CCOCC1
InChIInChI=1S/C20H22N4O4/c25-18(21-8-9-23-10-12-27-13-11-23)14-24-16-5-1-2-6-17(16)28-19-15(20(24)26)4-3-7-22-19/h1-7H,8-14H2,(H,21,25)
InChIKeyGJGQGFLGDWWEGV-UHFFFAOYSA-N
MW382.42 g/mol
LogP1.28
Rot. Bonds5

About N-(2-morpholin-4-ylethyl)-2-(5-oxopyrido[2,3-b][1,5]benzoxazepin-6-yl)acetamide

N-(2-morpholin-4-ylethyl)-2-(5-oxopyrido[2,3-b][1,5]benzoxazepin-6-yl)acetamide (PubChem CID 20908953) has the molecular formula C20H22N4O4 and a molecular weight of 382.42 g/mol. Its IUPAC name is N-(2-morpholin-4-ylethyl)-2-(5-oxopyrido[2,3-b][1,5]benzoxazepin-6-yl)acetamide.

Molecular Properties

Compound NameN-(2-morpholin-4-ylethyl)-2-(5-oxopyrido[2,3-b][1,5]benzoxazepin-6-yl)acetamide
PubChem CID20908953
Molecular FormulaC20H22N4O4
Molecular Weight382.42 g/mol
Exact Mass382.16
IUPAC NameN-(2-morpholin-4-ylethyl)-2-(5-oxopyrido[2,3-b][1,5]benzoxazepin-6-yl)acetamide
SMILESO=C(CN1C(=O)c2cccnc2Oc2ccccc21)NCCN1CCOCC1
InChIInChI=1S/C20H22N4O4/c25-18(21-8-9-23-10-12-27-13-11-23)14-24-16-5-1-2-6-17(16)28-19-15(20(24)26)4-3-7-22-19/h1-7H,8-14H2,(H,21,25)
InChIKeyGJGQGFLGDWWEGV-UHFFFAOYSA-N
XLogP1.28
TPSA84.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(1,3-dioxoisoindol-2-yl)-N-(2-morpholin-4-ylethyl)acetamide
CID 4629546
N-[3-(4-cyclohexylpiperazin-1-yl)propyl]-2-(5-oxopyrido[2,3-b][1,5]benzoxazepin-6-yl)acetamide
CID 20908963
N-(2-hydroxyethyl)-2-(6-oxopyrido[2,3-b][1,4]benzoxazepin-5-yl)acetamide
CID 71827583
N-(2-chlorophenyl)-2-(5-oxopyrido[2,3-b][1,5]benzoxazepin-6-yl)acetamide
CID 20908896
2-[(2S)-2-ethyl-3-oxo-1,4-benzoxazin-4-yl]-N-(2-morpholin-4-ylethyl)acetamide
CID 92696140
2-(5-oxopyrido[2,3-b][1,5]benzothiazepin-6-yl)-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 46341041
N-(3-methoxypropyl)-2-(6-oxopyrido[2,3-b][1,4]benzoxazepin-5-yl)acetamide
CID 71827593
4-(5-oxopyrido[2,3-b][1,5]benzoxazepin-6-yl)-N-(2-thiophen-2-ylethyl)butanamide
CID 20909159
1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-3-(2-morpholin-4-ylethyl)urea
CID 108874898
N-(2-morpholin-4-ylethyl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
CID 3262033
N-(2-morpholin-4-ylethyl)-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide
CID 3240979
10-methyl-13-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-2,16-dioxa-4,10,13-triazatricyclo[15.4.0.03,8]henicosa-1(21),3(8),4,6,17,19-hexaen-9-one
CID 110075599

Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-ylethyl)-2-(5-oxopyrido[2,3-b][1,5]benzoxazepin-6-yl)acetamide?
The IUPAC name of N-(2-morpholin-4-ylethyl)-2-(5-oxopyrido[2,3-b][1,5]benzoxazepin-6-yl)acetamide (CID 20908953) is N-(2-morpholin-4-ylethyl)-2-(5-oxopyrido[2,3-b][1,5]benzoxazepin-6-yl)acetamide.
What is the SMILES notation for N-(2-morpholin-4-ylethyl)-2-(5-oxopyrido[2,3-b][1,5]benzoxazepin-6-yl)acetamide?
The canonical SMILES for N-(2-morpholin-4-ylethyl)-2-(5-oxopyrido[2,3-b][1,5]benzoxazepin-6-yl)acetamide is O=C(CN1C(=O)c2cccnc2Oc2ccccc21)NCCN1CCOCC1.
What is the InChIKey of N-(2-morpholin-4-ylethyl)-2-(5-oxopyrido[2,3-b][1,5]benzoxazepin-6-yl)acetamide?
The InChIKey is GJGQGFLGDWWEGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O4/c25-18(21-8-9-23-10-12-27-13-11-23)14-24-16-5-1-2-6-17(16)28-19-15(20(24)26)4-3-7-22-19/h1-7H,8-14H2,(H,21,25).
What are the key properties of N-(2-morpholin-4-ylethyl)-2-(5-oxopyrido[2,3-b][1,5]benzoxazepin-6-yl)acetamide?
N-(2-morpholin-4-ylethyl)-2-(5-oxopyrido[2,3-b][1,5]benzoxazepin-6-yl)acetamide has a molecular weight of 382.42 g/mol, XLogP of 1.28, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-ylethyl)-2-(5-oxopyrido[2,3-b][1,5]benzoxazepin-6-yl)acetamide is sourced from PubChem (CID 20908953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).