N'-(5-chloro-2-hydroxybenzoyl)quinoxaline-2-carbohydrazide

C16H11ClN4O3 — CID 55468262

IUPACN'-(5-chloro-2-hydroxybenzoyl)quinoxaline-2-carbohydrazide
SMILESO=C(NNC(=O)c1cc(Cl)ccc1O)c1cnc2ccccc2n1
InChIInChI=1S/C16H11ClN4O3/c17-9-5-6-14(22)10(7-9)15(23)20-21-16(24)13-8-18-11-3-1-2-4-12(11)19-13/h1-8,22H,(H,20,23)(H,21,24)
InChIKeyONLGDRHUQUIMKU-UHFFFAOYSA-N
MW342.74 g/mol
LogP2.06
Rot. Bonds2

About N'-(5-chloro-2-hydroxybenzoyl)quinoxaline-2-carbohydrazide

N'-(5-chloro-2-hydroxybenzoyl)quinoxaline-2-carbohydrazide (PubChem CID 55468262) has the molecular formula C16H11ClN4O3 and a molecular weight of 342.74 g/mol. Its IUPAC name is N'-(5-chloro-2-hydroxybenzoyl)quinoxaline-2-carbohydrazide.

Molecular Properties

Compound NameN'-(5-chloro-2-hydroxybenzoyl)quinoxaline-2-carbohydrazide
PubChem CID55468262
Molecular FormulaC16H11ClN4O3
Molecular Weight342.74 g/mol
Exact Mass342.05
IUPAC NameN'-(5-chloro-2-hydroxybenzoyl)quinoxaline-2-carbohydrazide
SMILESO=C(NNC(=O)c1cc(Cl)ccc1O)c1cnc2ccccc2n1
InChIInChI=1S/C16H11ClN4O3/c17-9-5-6-14(22)10(7-9)15(23)20-21-16(24)13-8-18-11-3-1-2-4-12(11)19-13/h1-8,22H,(H,20,23)(H,21,24)
InChIKeyONLGDRHUQUIMKU-UHFFFAOYSA-N
XLogP2.06
TPSA104.21 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.74
LogP ≤ 52.06
H-Bond Donors ≤ 53
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'-(5-chloro-2-hydroxybenzoyl)quinoxaline-2-carbohydrazide?
The IUPAC name of N'-(5-chloro-2-hydroxybenzoyl)quinoxaline-2-carbohydrazide (CID 55468262) is N'-(5-chloro-2-hydroxybenzoyl)quinoxaline-2-carbohydrazide.
What is the SMILES notation for N'-(5-chloro-2-hydroxybenzoyl)quinoxaline-2-carbohydrazide?
The canonical SMILES for N'-(5-chloro-2-hydroxybenzoyl)quinoxaline-2-carbohydrazide is O=C(NNC(=O)c1cc(Cl)ccc1O)c1cnc2ccccc2n1.
What is the InChIKey of N'-(5-chloro-2-hydroxybenzoyl)quinoxaline-2-carbohydrazide?
The InChIKey is ONLGDRHUQUIMKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClN4O3/c17-9-5-6-14(22)10(7-9)15(23)20-21-16(24)13-8-18-11-3-1-2-4-12(11)19-13/h1-8,22H,(H,20,23)(H,21,24).
What are the key properties of N'-(5-chloro-2-hydroxybenzoyl)quinoxaline-2-carbohydrazide?
N'-(5-chloro-2-hydroxybenzoyl)quinoxaline-2-carbohydrazide has a molecular weight of 342.74 g/mol, XLogP of 2.06, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-chloro-2-hydroxybenzoyl)quinoxaline-2-carbohydrazide is sourced from PubChem (CID 55468262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).