4-morpholin-4-yl-4-oxo-N'-[2-(3-oxo-1,4-benzoxazin-4-yl)acetyl]butanehydrazide

C18H22N4O6 — CID 9237466

IUPAC4-morpholin-4-yl-4-oxo-N'-[2-(3-oxo-1,4-benzoxazin-4-yl)acetyl]butanehydrazide
SMILESO=C(CCC(=O)N1CCOCC1)NNC(=O)CN1C(=O)COc2ccccc21
InChIInChI=1S/C18H22N4O6/c23-15(5-6-17(25)21-7-9-27-10-8-21)19-20-16(24)11-22-13-3-1-2-4-14(13)28-12-18(22)26/h1-4H,5-12H2,(H,19,23)(H,20,24)
InChIKeyBXBDDEBKUJWFMK-UHFFFAOYSA-N
MW390.40 g/mol
LogP-0.80
Rot. Bonds5

About 4-morpholin-4-yl-4-oxo-N'-[2-(3-oxo-1,4-benzoxazin-4-yl)acetyl]butanehydrazide

4-morpholin-4-yl-4-oxo-N'-[2-(3-oxo-1,4-benzoxazin-4-yl)acetyl]butanehydrazide (PubChem CID 9237466) has the molecular formula C18H22N4O6 and a molecular weight of 390.40 g/mol. Its IUPAC name is 4-morpholin-4-yl-4-oxo-N'-[2-(3-oxo-1,4-benzoxazin-4-yl)acetyl]butanehydrazide.

Molecular Properties

Compound Name4-morpholin-4-yl-4-oxo-N'-[2-(3-oxo-1,4-benzoxazin-4-yl)acetyl]butanehydrazide
PubChem CID9237466
Molecular FormulaC18H22N4O6
Molecular Weight390.40 g/mol
Exact Mass390.15
IUPAC Name4-morpholin-4-yl-4-oxo-N'-[2-(3-oxo-1,4-benzoxazin-4-yl)acetyl]butanehydrazide
SMILESO=C(CCC(=O)N1CCOCC1)NNC(=O)CN1C(=O)COc2ccccc21
InChIInChI=1S/C18H22N4O6/c23-15(5-6-17(25)21-7-9-27-10-8-21)19-20-16(24)11-22-13-3-1-2-4-14(13)28-12-18(22)26/h1-4H,5-12H2,(H,19,23)(H,20,24)
InChIKeyBXBDDEBKUJWFMK-UHFFFAOYSA-N
XLogP-0.80
TPSA117.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.40
LogP ≤ 5-0.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-(furan-2-yl)-N'-[2-(3-oxo-1,4-benzoxazin-4-yl)acetyl]propanehydrazide
CID 17431901
5-(2-morpholin-4-yl-2-oxoethyl)-2,3-dihydro-1,5-benzoxazepin-4-one
CID 18105390
4-(3-oxo-3-piperidin-1-ylpropyl)-1,4-benzoxazin-3-one
CID 5018828
2-(3-fluorophenyl)-N'-[2-(3-oxo-1,4-benzoxazin-4-yl)acetyl]acetohydrazide
CID 9237538
4-(3-oxo-3-piperazin-1-ylpropyl)-1,4-benzoxazin-3-one
CID 39163207
N-(2-morpholin-4-ylethyl)-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide
CID 3240979
N-(2-morpholin-4-ium-4-ylethyl)-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 3690149
N-(5-chloro-2-morpholin-4-ylphenyl)-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 26207996
N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 47031609
2-(3-oxo-1,4-benzoxazin-4-yl)-N-phenylmethoxyacetamide
CID 51072486
N'-[3-(3-oxo-1,4-benzoxazin-4-yl)propyl]morpholine-4-carboximidamide
CID 111818998
(E)-3-(2-methylphenyl)-N'-[2-(3-oxo-1,4-benzoxazin-4-yl)acetyl]prop-2-enehydrazide
CID 9236639

Frequently Asked Questions

What is the IUPAC name of 4-morpholin-4-yl-4-oxo-N'-[2-(3-oxo-1,4-benzoxazin-4-yl)acetyl]butanehydrazide?
The IUPAC name of 4-morpholin-4-yl-4-oxo-N'-[2-(3-oxo-1,4-benzoxazin-4-yl)acetyl]butanehydrazide (CID 9237466) is 4-morpholin-4-yl-4-oxo-N'-[2-(3-oxo-1,4-benzoxazin-4-yl)acetyl]butanehydrazide.
What is the SMILES notation for 4-morpholin-4-yl-4-oxo-N'-[2-(3-oxo-1,4-benzoxazin-4-yl)acetyl]butanehydrazide?
The canonical SMILES for 4-morpholin-4-yl-4-oxo-N'-[2-(3-oxo-1,4-benzoxazin-4-yl)acetyl]butanehydrazide is O=C(CCC(=O)N1CCOCC1)NNC(=O)CN1C(=O)COc2ccccc21.
What is the InChIKey of 4-morpholin-4-yl-4-oxo-N'-[2-(3-oxo-1,4-benzoxazin-4-yl)acetyl]butanehydrazide?
The InChIKey is BXBDDEBKUJWFMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O6/c23-15(5-6-17(25)21-7-9-27-10-8-21)19-20-16(24)11-22-13-3-1-2-4-14(13)28-12-18(22)26/h1-4H,5-12H2,(H,19,23)(H,20,24).
What are the key properties of 4-morpholin-4-yl-4-oxo-N'-[2-(3-oxo-1,4-benzoxazin-4-yl)acetyl]butanehydrazide?
4-morpholin-4-yl-4-oxo-N'-[2-(3-oxo-1,4-benzoxazin-4-yl)acetyl]butanehydrazide has a molecular weight of 390.40 g/mol, XLogP of -0.80, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-morpholin-4-yl-4-oxo-N'-[2-(3-oxo-1,4-benzoxazin-4-yl)acetyl]butanehydrazide is sourced from PubChem (CID 9237466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).