N'-(3-chlorophenyl)-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carbohydrazide

C17H15ClN4O3 — CID 43009142

IUPACN'-(3-chlorophenyl)-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carbohydrazide
SMILESCCn1c(=O)c(=O)[nH]c2cc(C(=O)NNc3cccc(Cl)c3)ccc21
InChIInChI=1S/C17H15ClN4O3/c1-2-22-14-7-6-10(8-13(14)19-16(24)17(22)25)15(23)21-20-12-5-3-4-11(18)9-12/h3-9,20H,2H2,1H3,(H,19,24)(H,21,23)
InChIKeyUHCJVLVSQKSQKC-UHFFFAOYSA-N
MW358.79 g/mol
LogP2.12
Rot. Bonds4

About N'-(3-chlorophenyl)-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carbohydrazide

N'-(3-chlorophenyl)-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carbohydrazide (PubChem CID 43009142) has the molecular formula C17H15ClN4O3 and a molecular weight of 358.79 g/mol. Its IUPAC name is N'-(3-chlorophenyl)-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carbohydrazide.

Molecular Properties

Compound NameN'-(3-chlorophenyl)-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carbohydrazide
PubChem CID43009142
Molecular FormulaC17H15ClN4O3
Molecular Weight358.79 g/mol
Exact Mass358.08
IUPAC NameN'-(3-chlorophenyl)-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carbohydrazide
SMILESCCn1c(=O)c(=O)[nH]c2cc(C(=O)NNc3cccc(Cl)c3)ccc21
InChIInChI=1S/C17H15ClN4O3/c1-2-22-14-7-6-10(8-13(14)19-16(24)17(22)25)15(23)21-20-12-5-3-4-11(18)9-12/h3-9,20H,2H2,1H3,(H,19,24)(H,21,23)
InChIKeyUHCJVLVSQKSQKC-UHFFFAOYSA-N
XLogP2.12
TPSA95.99 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.79
LogP ≤ 52.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[1-(4-chlorophenyl)propyl]-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carboxamide
CID 17441845
N-[(2S)-butan-2-yl]-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carboxamide
CID 2557057
N-(3-chloro-4-fluorophenyl)-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carboxamide
CID 26365670
N-(3-chloro-2-methylphenyl)-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carboxamide
CID 26584443
N-(1-amino-2-methylpropan-2-yl)-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carboxamide
CID 119523999
1-ethyl-N-[(3-methylphenyl)methyl]-2,3-dioxo-4H-quinoxaline-6-carboxamide
CID 33279242
N-(4-chloro-2,5-dimethoxyphenyl)-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carboxamide
CID 26620345
1-ethyl-2,3-dioxo-N-[3-(pyrrolidin-1-ylmethyl)phenyl]-4H-quinoxaline-6-carboxamide
CID 46417026
1-ethyl-2,3-dioxo-N-[2-oxo-2-(propan-2-ylamino)ethyl]-4H-quinoxaline-6-carboxamide
CID 27742876
1-ethyl-N-(3-methoxypropyl)-2,3-dioxo-4H-quinoxaline-6-carboxamide
CID 35513573
1-ethyl-N'-[(5S)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl]-2,3-dioxo-4H-quinoxaline-6-carbohydrazide
CID 25372891
1-ethyl-N-[(2R)-2-(ethylamino)propyl]-2,3-dioxo-4H-quinoxaline-6-carboxamide
CID 120653143

Frequently Asked Questions

What is the IUPAC name of N'-(3-chlorophenyl)-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carbohydrazide?
The IUPAC name of N'-(3-chlorophenyl)-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carbohydrazide (CID 43009142) is N'-(3-chlorophenyl)-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carbohydrazide.
What is the SMILES notation for N'-(3-chlorophenyl)-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carbohydrazide?
The canonical SMILES for N'-(3-chlorophenyl)-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carbohydrazide is CCn1c(=O)c(=O)[nH]c2cc(C(=O)NNc3cccc(Cl)c3)ccc21.
What is the InChIKey of N'-(3-chlorophenyl)-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carbohydrazide?
The InChIKey is UHCJVLVSQKSQKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN4O3/c1-2-22-14-7-6-10(8-13(14)19-16(24)17(22)25)15(23)21-20-12-5-3-4-11(18)9-12/h3-9,20H,2H2,1H3,(H,19,24)(H,21,23).
What are the key properties of N'-(3-chlorophenyl)-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carbohydrazide?
N'-(3-chlorophenyl)-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carbohydrazide has a molecular weight of 358.79 g/mol, XLogP of 2.12, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-chlorophenyl)-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carbohydrazide is sourced from PubChem (CID 43009142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).