N-[4-[(2E)-2-(6-chloro-3-oxo-4H-quinoxalin-2-yl)-2-hydrazinylidene-1-hydroxyethyl]phenyl]acetamide

C18H16ClN5O3 — CID 135499268

IUPACN-[4-[(2E)-2-(6-chloro-3-oxo-4H-quinoxalin-2-yl)-2-hydrazinylidene-1-hydroxyethyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(C(O)/C(=N/N)c2nc3ccc(Cl)cc3[nH]c2=O)cc1
InChIInChI=1S/C18H16ClN5O3/c1-9(25)21-12-5-2-10(3-6-12)17(26)15(24-20)16-18(27)23-14-8-11(19)4-7-13(14)22-16/h2-8,17,26H,20H2,1H3,(H,21,25)(H,23,27)/b24-15+
InChIKeyWRGNQKACZMRGKU-BUVRLJJBSA-N
MW385.81 g/mol
LogP1.93
Rot. Bonds4

About N-[4-[(2E)-2-(6-chloro-3-oxo-4H-quinoxalin-2-yl)-2-hydrazinylidene-1-hydroxyethyl]phenyl]acetamide

N-[4-[(2E)-2-(6-chloro-3-oxo-4H-quinoxalin-2-yl)-2-hydrazinylidene-1-hydroxyethyl]phenyl]acetamide (PubChem CID 135499268) has the molecular formula C18H16ClN5O3 and a molecular weight of 385.81 g/mol. Its IUPAC name is N-[4-[(2E)-2-(6-chloro-3-oxo-4H-quinoxalin-2-yl)-2-hydrazinylidene-1-hydroxyethyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(2E)-2-(6-chloro-3-oxo-4H-quinoxalin-2-yl)-2-hydrazinylidene-1-hydroxyethyl]phenyl]acetamide
PubChem CID135499268
Molecular FormulaC18H16ClN5O3
Molecular Weight385.81 g/mol
Exact Mass385.09
IUPAC NameN-[4-[(2E)-2-(6-chloro-3-oxo-4H-quinoxalin-2-yl)-2-hydrazinylidene-1-hydroxyethyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(C(O)/C(=N/N)c2nc3ccc(Cl)cc3[nH]c2=O)cc1
InChIInChI=1S/C18H16ClN5O3/c1-9(25)21-12-5-2-10(3-6-12)17(26)15(24-20)16-18(27)23-14-8-11(19)4-7-13(14)22-16/h2-8,17,26H,20H2,1H3,(H,21,25)(H,23,27)/b24-15+
InChIKeyWRGNQKACZMRGKU-BUVRLJJBSA-N
XLogP1.93
TPSA133.46 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.81
LogP ≤ 51.93
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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 N-[4-[(2E)-2-(6-chloro-3-oxo-4H-quinoxalin-2-yl)-2-hydrazinylidene-1-hydroxyethyl]phenyl]acetamide?
The IUPAC name of N-[4-[(2E)-2-(6-chloro-3-oxo-4H-quinoxalin-2-yl)-2-hydrazinylidene-1-hydroxyethyl]phenyl]acetamide (CID 135499268) is N-[4-[(2E)-2-(6-chloro-3-oxo-4H-quinoxalin-2-yl)-2-hydrazinylidene-1-hydroxyethyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[(2E)-2-(6-chloro-3-oxo-4H-quinoxalin-2-yl)-2-hydrazinylidene-1-hydroxyethyl]phenyl]acetamide?
The canonical SMILES for N-[4-[(2E)-2-(6-chloro-3-oxo-4H-quinoxalin-2-yl)-2-hydrazinylidene-1-hydroxyethyl]phenyl]acetamide is CC(=O)Nc1ccc(C(O)/C(=N/N)c2nc3ccc(Cl)cc3[nH]c2=O)cc1.
What is the InChIKey of N-[4-[(2E)-2-(6-chloro-3-oxo-4H-quinoxalin-2-yl)-2-hydrazinylidene-1-hydroxyethyl]phenyl]acetamide?
The InChIKey is WRGNQKACZMRGKU-BUVRLJJBSA-N. The full InChI is InChI=1S/C18H16ClN5O3/c1-9(25)21-12-5-2-10(3-6-12)17(26)15(24-20)16-18(27)23-14-8-11(19)4-7-13(14)22-16/h2-8,17,26H,20H2,1H3,(H,21,25)(H,23,27)/b24-15+.
What are the key properties of N-[4-[(2E)-2-(6-chloro-3-oxo-4H-quinoxalin-2-yl)-2-hydrazinylidene-1-hydroxyethyl]phenyl]acetamide?
N-[4-[(2E)-2-(6-chloro-3-oxo-4H-quinoxalin-2-yl)-2-hydrazinylidene-1-hydroxyethyl]phenyl]acetamide has a molecular weight of 385.81 g/mol, XLogP of 1.93, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2E)-2-(6-chloro-3-oxo-4H-quinoxalin-2-yl)-2-hydrazinylidene-1-hydroxyethyl]phenyl]acetamide is sourced from PubChem (CID 135499268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).