3-[2-[(2-chlorophenyl)methylidene]hydrazinyl]-1H-quinoxalin-2-one

C15H11ClN4O — CID 3850152

IUPAC3-[2-[(2-chlorophenyl)methylidene]hydrazinyl]-1H-quinoxalin-2-one
SMILESO=c1[nH]c2ccccc2nc1NN=Cc1ccccc1Cl
InChIInChI=1S/C15H11ClN4O/c16-11-6-2-1-5-10(11)9-17-20-14-15(21)19-13-8-4-3-7-12(13)18-14/h1-9H,(H,18,20)(H,19,21)
InChIKeyAUZFCQHCCRIALU-UHFFFAOYSA-N
MW298.73 g/mol
LogP3.02
Rot. Bonds3

About 3-[2-[(2-chlorophenyl)methylidene]hydrazinyl]-1H-quinoxalin-2-one

3-[2-[(2-chlorophenyl)methylidene]hydrazinyl]-1H-quinoxalin-2-one (PubChem CID 3850152) has the molecular formula C15H11ClN4O and a molecular weight of 298.73 g/mol. Its IUPAC name is 3-[2-[(2-chlorophenyl)methylidene]hydrazinyl]-1H-quinoxalin-2-one.

Molecular Properties

Compound Name3-[2-[(2-chlorophenyl)methylidene]hydrazinyl]-1H-quinoxalin-2-one
PubChem CID3850152
Molecular FormulaC15H11ClN4O
Molecular Weight298.73 g/mol
Exact Mass298.06
IUPAC Name3-[2-[(2-chlorophenyl)methylidene]hydrazinyl]-1H-quinoxalin-2-one
SMILESO=c1[nH]c2ccccc2nc1NN=Cc1ccccc1Cl
InChIInChI=1S/C15H11ClN4O/c16-11-6-2-1-5-10(11)9-17-20-14-15(21)19-13-8-4-3-7-12(13)18-14/h1-9H,(H,18,20)(H,19,21)
InChIKeyAUZFCQHCCRIALU-UHFFFAOYSA-N
XLogP3.02
TPSA70.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.73
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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 3-[2-[(2-chlorophenyl)methylidene]hydrazinyl]-1H-quinoxalin-2-one?
The IUPAC name of 3-[2-[(2-chlorophenyl)methylidene]hydrazinyl]-1H-quinoxalin-2-one (CID 3850152) is 3-[2-[(2-chlorophenyl)methylidene]hydrazinyl]-1H-quinoxalin-2-one.
What is the SMILES notation for 3-[2-[(2-chlorophenyl)methylidene]hydrazinyl]-1H-quinoxalin-2-one?
The canonical SMILES for 3-[2-[(2-chlorophenyl)methylidene]hydrazinyl]-1H-quinoxalin-2-one is O=c1[nH]c2ccccc2nc1NN=Cc1ccccc1Cl.
What is the InChIKey of 3-[2-[(2-chlorophenyl)methylidene]hydrazinyl]-1H-quinoxalin-2-one?
The InChIKey is AUZFCQHCCRIALU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN4O/c16-11-6-2-1-5-10(11)9-17-20-14-15(21)19-13-8-4-3-7-12(13)18-14/h1-9H,(H,18,20)(H,19,21).
What are the key properties of 3-[2-[(2-chlorophenyl)methylidene]hydrazinyl]-1H-quinoxalin-2-one?
3-[2-[(2-chlorophenyl)methylidene]hydrazinyl]-1H-quinoxalin-2-one has a molecular weight of 298.73 g/mol, XLogP of 3.02, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(2-chlorophenyl)methylidene]hydrazinyl]-1H-quinoxalin-2-one is sourced from PubChem (CID 3850152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).