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

C18H14N4O4 — CID 9237521

IUPAC3-cyano-N'-[2-(3-oxo-1,4-benzoxazin-4-yl)acetyl]benzohydrazide
SMILESN#Cc1cccc(C(=O)NNC(=O)CN2C(=O)COc3ccccc32)c1
InChIInChI=1S/C18H14N4O4/c19-9-12-4-3-5-13(8-12)18(25)21-20-16(23)10-22-14-6-1-2-7-15(14)26-11-17(22)24/h1-8H,10-11H2,(H,20,23)(H,21,25)
InChIKeyXYAQCSAZAAIZLV-UHFFFAOYSA-N
MW350.33 g/mol
LogP0.74
Rot. Bonds3

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

3-cyano-N'-[2-(3-oxo-1,4-benzoxazin-4-yl)acetyl]benzohydrazide (PubChem CID 9237521) has the molecular formula C18H14N4O4 and a molecular weight of 350.33 g/mol. Its IUPAC name is 3-cyano-N'-[2-(3-oxo-1,4-benzoxazin-4-yl)acetyl]benzohydrazide.

Molecular Properties

Compound Name3-cyano-N'-[2-(3-oxo-1,4-benzoxazin-4-yl)acetyl]benzohydrazide
PubChem CID9237521
Molecular FormulaC18H14N4O4
Molecular Weight350.33 g/mol
Exact Mass350.10
IUPAC Name3-cyano-N'-[2-(3-oxo-1,4-benzoxazin-4-yl)acetyl]benzohydrazide
SMILESN#Cc1cccc(C(=O)NNC(=O)CN2C(=O)COc3ccccc32)c1
InChIInChI=1S/C18H14N4O4/c19-9-12-4-3-5-13(8-12)18(25)21-20-16(23)10-22-14-6-1-2-7-15(14)26-11-17(22)24/h1-8H,10-11H2,(H,20,23)(H,21,25)
InChIKeyXYAQCSAZAAIZLV-UHFFFAOYSA-N
XLogP0.74
TPSA111.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.33
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(3-fluorophenyl)-N'-[2-(3-oxo-1,4-benzoxazin-4-yl)acetyl]acetohydrazide
CID 9237538
5-methoxy-N'-[2-(3-oxo-1,4-benzoxazin-4-yl)acetyl]-2,3-dihydro-1,4-benzodioxine-7-carbohydrazide
CID 9225858
N'-[2-(3-oxo-1,4-benzoxazin-4-yl)acetyl]-5-(phenoxymethyl)furan-2-carbohydrazide
CID 18120641
N,N-dimethyl-3-[[2-(3-oxo-1,4-benzoxazin-4-yl)acetyl]amino]benzamide
CID 30378601
(E)-3-(2-methylphenyl)-N'-[2-(3-oxo-1,4-benzoxazin-4-yl)acetyl]prop-2-enehydrazide
CID 9236639
3-cyano-N-[(4-methyl-3-oxo-1,4-benzoxazin-6-yl)methyl]benzamide
CID 110783550
N'-[2-(7-bromo-3-oxo-1,4-benzoxazin-4-yl)acetyl]pyridine-3-carbohydrazide
CID 39039312
3-(furan-2-yl)-N'-[2-(3-oxo-1,4-benzoxazin-4-yl)acetyl]propanehydrazide
CID 17431901
4-morpholin-4-yl-4-oxo-N'-[2-(3-oxo-1,4-benzoxazin-4-yl)acetyl]butanehydrazide
CID 9237466
2-(3-oxo-1,4-benzoxazin-4-yl)-N-(1-phenylethyl)acetamide
CID 3239944
2-[4-[2-(3-oxo-1,4-benzoxazin-4-yl)acetyl]piperazin-1-yl]pyridine-4-carbonitrile
CID 18267954
3-methyl-4-[(3-oxo-1,4-benzoxazin-4-yl)methyl]benzonitrile
CID 114481318

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N'-[2-(3-oxo-1,4-benzoxazin-4-yl)acetyl]benzohydrazide?
The IUPAC name of 3-cyano-N'-[2-(3-oxo-1,4-benzoxazin-4-yl)acetyl]benzohydrazide (CID 9237521) is 3-cyano-N'-[2-(3-oxo-1,4-benzoxazin-4-yl)acetyl]benzohydrazide.
What is the SMILES notation for 3-cyano-N'-[2-(3-oxo-1,4-benzoxazin-4-yl)acetyl]benzohydrazide?
The canonical SMILES for 3-cyano-N'-[2-(3-oxo-1,4-benzoxazin-4-yl)acetyl]benzohydrazide is N#Cc1cccc(C(=O)NNC(=O)CN2C(=O)COc3ccccc32)c1.
What is the InChIKey of 3-cyano-N'-[2-(3-oxo-1,4-benzoxazin-4-yl)acetyl]benzohydrazide?
The InChIKey is XYAQCSAZAAIZLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O4/c19-9-12-4-3-5-13(8-12)18(25)21-20-16(23)10-22-14-6-1-2-7-15(14)26-11-17(22)24/h1-8H,10-11H2,(H,20,23)(H,21,25).
What are the key properties of 3-cyano-N'-[2-(3-oxo-1,4-benzoxazin-4-yl)acetyl]benzohydrazide?
3-cyano-N'-[2-(3-oxo-1,4-benzoxazin-4-yl)acetyl]benzohydrazide has a molecular weight of 350.33 g/mol, XLogP of 0.74, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N'-[2-(3-oxo-1,4-benzoxazin-4-yl)acetyl]benzohydrazide is sourced from PubChem (CID 9237521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).