3-chloro-N'-methyl-N'-quinoxalin-2-ylpyridine-4-carbohydrazide

C15H12ClN5O — CID 2742117

IUPAC3-chloro-N'-methyl-N'-quinoxalin-2-ylpyridine-4-carbohydrazide
SMILESCN(NC(=O)c1ccncc1Cl)c1cnc2ccccc2n1
InChIInChI=1S/C15H12ClN5O/c1-21(20-15(22)10-6-7-17-8-11(10)16)14-9-18-12-4-2-3-5-13(12)19-14/h2-9H,1H3,(H,20,22)
InChIKeyQZBOACTURJFZIL-UHFFFAOYSA-N
MW313.75 g/mol
LogP2.46
Rot. Bonds3

About 3-chloro-N'-methyl-N'-quinoxalin-2-ylpyridine-4-carbohydrazide

3-chloro-N'-methyl-N'-quinoxalin-2-ylpyridine-4-carbohydrazide (PubChem CID 2742117) has the molecular formula C15H12ClN5O and a molecular weight of 313.75 g/mol. Its IUPAC name is 3-chloro-N'-methyl-N'-quinoxalin-2-ylpyridine-4-carbohydrazide.

Molecular Properties

Compound Name3-chloro-N'-methyl-N'-quinoxalin-2-ylpyridine-4-carbohydrazide
PubChem CID2742117
Molecular FormulaC15H12ClN5O
Molecular Weight313.75 g/mol
Exact Mass313.07
IUPAC Name3-chloro-N'-methyl-N'-quinoxalin-2-ylpyridine-4-carbohydrazide
SMILESCN(NC(=O)c1ccncc1Cl)c1cnc2ccccc2n1
InChIInChI=1S/C15H12ClN5O/c1-21(20-15(22)10-6-7-17-8-11(10)16)14-9-18-12-4-2-3-5-13(12)19-14/h2-9H,1H3,(H,20,22)
InChIKeyQZBOACTURJFZIL-UHFFFAOYSA-N
XLogP2.46
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.75
LogP ≤ 52.46
H-Bond Donors ≤ 51
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 3-chloro-N'-methyl-N'-quinoxalin-2-ylpyridine-4-carbohydrazide?
The IUPAC name of 3-chloro-N'-methyl-N'-quinoxalin-2-ylpyridine-4-carbohydrazide (CID 2742117) is 3-chloro-N'-methyl-N'-quinoxalin-2-ylpyridine-4-carbohydrazide.
What is the SMILES notation for 3-chloro-N'-methyl-N'-quinoxalin-2-ylpyridine-4-carbohydrazide?
The canonical SMILES for 3-chloro-N'-methyl-N'-quinoxalin-2-ylpyridine-4-carbohydrazide is CN(NC(=O)c1ccncc1Cl)c1cnc2ccccc2n1.
What is the InChIKey of 3-chloro-N'-methyl-N'-quinoxalin-2-ylpyridine-4-carbohydrazide?
The InChIKey is QZBOACTURJFZIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN5O/c1-21(20-15(22)10-6-7-17-8-11(10)16)14-9-18-12-4-2-3-5-13(12)19-14/h2-9H,1H3,(H,20,22).
What are the key properties of 3-chloro-N'-methyl-N'-quinoxalin-2-ylpyridine-4-carbohydrazide?
3-chloro-N'-methyl-N'-quinoxalin-2-ylpyridine-4-carbohydrazide has a molecular weight of 313.75 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N'-methyl-N'-quinoxalin-2-ylpyridine-4-carbohydrazide is sourced from PubChem (CID 2742117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).