N'-[2-(3-benzyl-2-oxoquinoxalin-1-yl)acetyl]-4-nitrobenzohydrazide

C24H19N5O5 — CID 118731262

IUPACN'-[2-(3-benzyl-2-oxoquinoxalin-1-yl)acetyl]-4-nitrobenzohydrazide
SMILESO=C(Cn1c(=O)c(Cc2ccccc2)nc2ccccc21)NNC(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C24H19N5O5/c30-22(26-27-23(31)17-10-12-18(13-11-17)29(33)34)15-28-21-9-5-4-8-19(21)25-20(24(28)32)14-16-6-2-1-3-7-16/h1-13H,14-15H2,(H,26,30)(H,27,31)
InChIKeyNMIAIWQBVQRJQT-UHFFFAOYSA-N
MW457.45 g/mol
LogP2.36
Rot. Bonds6

About N'-[2-(3-benzyl-2-oxoquinoxalin-1-yl)acetyl]-4-nitrobenzohydrazide

N'-[2-(3-benzyl-2-oxoquinoxalin-1-yl)acetyl]-4-nitrobenzohydrazide (PubChem CID 118731262) has the molecular formula C24H19N5O5 and a molecular weight of 457.45 g/mol. Its IUPAC name is N'-[2-(3-benzyl-2-oxoquinoxalin-1-yl)acetyl]-4-nitrobenzohydrazide.

Molecular Properties

Compound NameN'-[2-(3-benzyl-2-oxoquinoxalin-1-yl)acetyl]-4-nitrobenzohydrazide
PubChem CID118731262
Molecular FormulaC24H19N5O5
Molecular Weight457.45 g/mol
Exact Mass457.14
IUPAC NameN'-[2-(3-benzyl-2-oxoquinoxalin-1-yl)acetyl]-4-nitrobenzohydrazide
SMILESO=C(Cn1c(=O)c(Cc2ccccc2)nc2ccccc21)NNC(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C24H19N5O5/c30-22(26-27-23(31)17-10-12-18(13-11-17)29(33)34)15-28-21-9-5-4-8-19(21)25-20(24(28)32)14-16-6-2-1-3-7-16/h1-13H,14-15H2,(H,26,30)(H,27,31)
InChIKeyNMIAIWQBVQRJQT-UHFFFAOYSA-N
XLogP2.36
TPSA136.23 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.45
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-[2-(3-benzyl-2-oxoquinoxalin-1-yl)acetyl]-4-nitrobenzohydrazide?
The IUPAC name of N'-[2-(3-benzyl-2-oxoquinoxalin-1-yl)acetyl]-4-nitrobenzohydrazide (CID 118731262) is N'-[2-(3-benzyl-2-oxoquinoxalin-1-yl)acetyl]-4-nitrobenzohydrazide.
What is the SMILES notation for N'-[2-(3-benzyl-2-oxoquinoxalin-1-yl)acetyl]-4-nitrobenzohydrazide?
The canonical SMILES for N'-[2-(3-benzyl-2-oxoquinoxalin-1-yl)acetyl]-4-nitrobenzohydrazide is O=C(Cn1c(=O)c(Cc2ccccc2)nc2ccccc21)NNC(=O)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N'-[2-(3-benzyl-2-oxoquinoxalin-1-yl)acetyl]-4-nitrobenzohydrazide?
The InChIKey is NMIAIWQBVQRJQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N5O5/c30-22(26-27-23(31)17-10-12-18(13-11-17)29(33)34)15-28-21-9-5-4-8-19(21)25-20(24(28)32)14-16-6-2-1-3-7-16/h1-13H,14-15H2,(H,26,30)(H,27,31).
What are the key properties of N'-[2-(3-benzyl-2-oxoquinoxalin-1-yl)acetyl]-4-nitrobenzohydrazide?
N'-[2-(3-benzyl-2-oxoquinoxalin-1-yl)acetyl]-4-nitrobenzohydrazide has a molecular weight of 457.45 g/mol, XLogP of 2.36, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(3-benzyl-2-oxoquinoxalin-1-yl)acetyl]-4-nitrobenzohydrazide is sourced from PubChem (CID 118731262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).