7-chloro-3-[2-(3,4-dichlorophenyl)-2-hydroxyethanehydrazonoyl]-1H-quinoxalin-2-one

C16H11Cl3N4O2 — CID 135499263

IUPAC7-chloro-3-[2-(3,4-dichlorophenyl)-2-hydroxyethanehydrazonoyl]-1H-quinoxalin-2-one
SMILESN/N=C(\c1nc2ccc(Cl)cc2[nH]c1=O)C(O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H11Cl3N4O2/c17-8-2-4-11-12(6-8)22-16(25)14(21-11)13(23-20)15(24)7-1-3-9(18)10(19)5-7/h1-6,15,24H,20H2,(H,22,25)/b23-13+
InChIKeyUTKNKVOJGQJRON-YDZHTSKRSA-N
MW397.65 g/mol
LogP3.28
Rot. Bonds3

About 7-chloro-3-[2-(3,4-dichlorophenyl)-2-hydroxyethanehydrazonoyl]-1H-quinoxalin-2-one

7-chloro-3-[2-(3,4-dichlorophenyl)-2-hydroxyethanehydrazonoyl]-1H-quinoxalin-2-one (PubChem CID 135499263) has the molecular formula C16H11Cl3N4O2 and a molecular weight of 397.65 g/mol. Its IUPAC name is 7-chloro-3-[2-(3,4-dichlorophenyl)-2-hydroxyethanehydrazonoyl]-1H-quinoxalin-2-one.

Molecular Properties

Compound Name7-chloro-3-[2-(3,4-dichlorophenyl)-2-hydroxyethanehydrazonoyl]-1H-quinoxalin-2-one
PubChem CID135499263
Molecular FormulaC16H11Cl3N4O2
Molecular Weight397.65 g/mol
Exact Mass395.99
IUPAC Name7-chloro-3-[2-(3,4-dichlorophenyl)-2-hydroxyethanehydrazonoyl]-1H-quinoxalin-2-one
SMILESN/N=C(\c1nc2ccc(Cl)cc2[nH]c1=O)C(O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H11Cl3N4O2/c17-8-2-4-11-12(6-8)22-16(25)14(21-11)13(23-20)15(24)7-1-3-9(18)10(19)5-7/h1-6,15,24H,20H2,(H,22,25)/b23-13+
InChIKeyUTKNKVOJGQJRON-YDZHTSKRSA-N
XLogP3.28
TPSA104.36 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.65
LogP ≤ 53.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'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 7-chloro-3-[2-(3,4-dichlorophenyl)-2-hydroxyethanehydrazonoyl]-1H-quinoxalin-2-one?
The IUPAC name of 7-chloro-3-[2-(3,4-dichlorophenyl)-2-hydroxyethanehydrazonoyl]-1H-quinoxalin-2-one (CID 135499263) is 7-chloro-3-[2-(3,4-dichlorophenyl)-2-hydroxyethanehydrazonoyl]-1H-quinoxalin-2-one.
What is the SMILES notation for 7-chloro-3-[2-(3,4-dichlorophenyl)-2-hydroxyethanehydrazonoyl]-1H-quinoxalin-2-one?
The canonical SMILES for 7-chloro-3-[2-(3,4-dichlorophenyl)-2-hydroxyethanehydrazonoyl]-1H-quinoxalin-2-one is N/N=C(\c1nc2ccc(Cl)cc2[nH]c1=O)C(O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 7-chloro-3-[2-(3,4-dichlorophenyl)-2-hydroxyethanehydrazonoyl]-1H-quinoxalin-2-one?
The InChIKey is UTKNKVOJGQJRON-YDZHTSKRSA-N. The full InChI is InChI=1S/C16H11Cl3N4O2/c17-8-2-4-11-12(6-8)22-16(25)14(21-11)13(23-20)15(24)7-1-3-9(18)10(19)5-7/h1-6,15,24H,20H2,(H,22,25)/b23-13+.
What are the key properties of 7-chloro-3-[2-(3,4-dichlorophenyl)-2-hydroxyethanehydrazonoyl]-1H-quinoxalin-2-one?
7-chloro-3-[2-(3,4-dichlorophenyl)-2-hydroxyethanehydrazonoyl]-1H-quinoxalin-2-one has a molecular weight of 397.65 g/mol, XLogP of 3.28, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-[2-(3,4-dichlorophenyl)-2-hydroxyethanehydrazonoyl]-1H-quinoxalin-2-one is sourced from PubChem (CID 135499263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).