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

C24H19ClN4O3 — CID 118731260

IUPACN'-[2-(3-benzyl-2-oxoquinoxalin-1-yl)acetyl]-4-chlorobenzohydrazide
SMILESO=C(Cn1c(=O)c(Cc2ccccc2)nc2ccccc21)NNC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C24H19ClN4O3/c25-18-12-10-17(11-13-18)23(31)28-27-22(30)15-29-21-9-5-4-8-19(21)26-20(24(29)32)14-16-6-2-1-3-7-16/h1-13H,14-15H2,(H,27,30)(H,28,31)
InChIKeyNUTGWMVFHAROCJ-UHFFFAOYSA-N
MW446.89 g/mol
LogP3.10
Rot. Bonds5

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

N'-[2-(3-benzyl-2-oxoquinoxalin-1-yl)acetyl]-4-chlorobenzohydrazide (PubChem CID 118731260) has the molecular formula C24H19ClN4O3 and a molecular weight of 446.89 g/mol. Its IUPAC name is N'-[2-(3-benzyl-2-oxoquinoxalin-1-yl)acetyl]-4-chlorobenzohydrazide.

Molecular Properties

Compound NameN'-[2-(3-benzyl-2-oxoquinoxalin-1-yl)acetyl]-4-chlorobenzohydrazide
PubChem CID118731260
Molecular FormulaC24H19ClN4O3
Molecular Weight446.89 g/mol
Exact Mass446.11
IUPAC NameN'-[2-(3-benzyl-2-oxoquinoxalin-1-yl)acetyl]-4-chlorobenzohydrazide
SMILESO=C(Cn1c(=O)c(Cc2ccccc2)nc2ccccc21)NNC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C24H19ClN4O3/c25-18-12-10-17(11-13-18)23(31)28-27-22(30)15-29-21-9-5-4-8-19(21)26-20(24(29)32)14-16-6-2-1-3-7-16/h1-13H,14-15H2,(H,27,30)(H,28,31)
InChIKeyNUTGWMVFHAROCJ-UHFFFAOYSA-N
XLogP3.10
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.89
LogP ≤ 53.10
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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Frequently Asked Questions

What is the IUPAC name of N'-[2-(3-benzyl-2-oxoquinoxalin-1-yl)acetyl]-4-chlorobenzohydrazide?
The IUPAC name of N'-[2-(3-benzyl-2-oxoquinoxalin-1-yl)acetyl]-4-chlorobenzohydrazide (CID 118731260) is N'-[2-(3-benzyl-2-oxoquinoxalin-1-yl)acetyl]-4-chlorobenzohydrazide.
What is the SMILES notation for N'-[2-(3-benzyl-2-oxoquinoxalin-1-yl)acetyl]-4-chlorobenzohydrazide?
The canonical SMILES for N'-[2-(3-benzyl-2-oxoquinoxalin-1-yl)acetyl]-4-chlorobenzohydrazide is O=C(Cn1c(=O)c(Cc2ccccc2)nc2ccccc21)NNC(=O)c1ccc(Cl)cc1.
What is the InChIKey of N'-[2-(3-benzyl-2-oxoquinoxalin-1-yl)acetyl]-4-chlorobenzohydrazide?
The InChIKey is NUTGWMVFHAROCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClN4O3/c25-18-12-10-17(11-13-18)23(31)28-27-22(30)15-29-21-9-5-4-8-19(21)26-20(24(29)32)14-16-6-2-1-3-7-16/h1-13H,14-15H2,(H,27,30)(H,28,31).
What are the key properties of N'-[2-(3-benzyl-2-oxoquinoxalin-1-yl)acetyl]-4-chlorobenzohydrazide?
N'-[2-(3-benzyl-2-oxoquinoxalin-1-yl)acetyl]-4-chlorobenzohydrazide has a molecular weight of 446.89 g/mol, XLogP of 3.10, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(3-benzyl-2-oxoquinoxalin-1-yl)acetyl]-4-chlorobenzohydrazide is sourced from PubChem (CID 118731260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).