2-(3-chloroquinolin-6-yl)acetohydrazide

C11H10ClN3O — CID 134178519

IUPAC2-(3-chloroquinolin-6-yl)acetohydrazide
SMILESNNC(=O)Cc1ccc2ncc(Cl)cc2c1
InChIInChI=1S/C11H10ClN3O/c12-9-5-8-3-7(4-11(16)15-13)1-2-10(8)14-6-9/h1-3,5-6H,4,13H2,(H,15,16)
InChIKeyRSGJMNRJVVQTDJ-UHFFFAOYSA-N
MW235.67 g/mol
LogP1.42
Rot. Bonds2

About 2-(3-chloroquinolin-6-yl)acetohydrazide

2-(3-chloroquinolin-6-yl)acetohydrazide (PubChem CID 134178519) has the molecular formula C11H10ClN3O and a molecular weight of 235.67 g/mol. Its IUPAC name is 2-(3-chloroquinolin-6-yl)acetohydrazide.

Molecular Properties

Compound Name2-(3-chloroquinolin-6-yl)acetohydrazide
PubChem CID134178519
Molecular FormulaC11H10ClN3O
Molecular Weight235.67 g/mol
Exact Mass235.05
IUPAC Name2-(3-chloroquinolin-6-yl)acetohydrazide
SMILESNNC(=O)Cc1ccc2ncc(Cl)cc2c1
InChIInChI=1S/C11H10ClN3O/c12-9-5-8-3-7(4-11(16)15-13)1-2-10(8)14-6-9/h1-3,5-6H,4,13H2,(H,15,16)
InChIKeyRSGJMNRJVVQTDJ-UHFFFAOYSA-N
XLogP1.42
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.67
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', '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 2-(3-chloroquinolin-6-yl)acetohydrazide?
The IUPAC name of 2-(3-chloroquinolin-6-yl)acetohydrazide (CID 134178519) is 2-(3-chloroquinolin-6-yl)acetohydrazide.
What is the SMILES notation for 2-(3-chloroquinolin-6-yl)acetohydrazide?
The canonical SMILES for 2-(3-chloroquinolin-6-yl)acetohydrazide is NNC(=O)Cc1ccc2ncc(Cl)cc2c1.
What is the InChIKey of 2-(3-chloroquinolin-6-yl)acetohydrazide?
The InChIKey is RSGJMNRJVVQTDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3O/c12-9-5-8-3-7(4-11(16)15-13)1-2-10(8)14-6-9/h1-3,5-6H,4,13H2,(H,15,16).
What are the key properties of 2-(3-chloroquinolin-6-yl)acetohydrazide?
2-(3-chloroquinolin-6-yl)acetohydrazide has a molecular weight of 235.67 g/mol, XLogP of 1.42, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloroquinolin-6-yl)acetohydrazide is sourced from PubChem (CID 134178519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).