(2Z,3S)-N-(2,4-dichlorophenyl)-2-hydrazinylidene-3-nitro-3-quinoxalin-2-ylpropanamide

C17H12Cl2N6O3 — CID 92531166

IUPAC(2Z,3S)-N-(2,4-dichlorophenyl)-2-hydrazinylidene-3-nitro-3-quinoxalin-2-ylpropanamide
SMILESN/N=C(\C(=O)Nc1ccc(Cl)cc1Cl)[C@H](c1cnc2ccccc2n1)[N+](=O)[O-]
InChIInChI=1S/C17H12Cl2N6O3/c18-9-5-6-11(10(19)7-9)23-17(26)15(24-20)16(25(27)28)14-8-21-12-3-1-2-4-13(12)22-14/h1-8,16H,20H2,(H,23,26)/b24-15-/t16-/m0/s1
InChIKeyYOQHIYIFYQFBMO-PHQOBFFQSA-N
MW419.23 g/mol
LogP3.21
Rot. Bonds5

About (2Z,3S)-N-(2,4-dichlorophenyl)-2-hydrazinylidene-3-nitro-3-quinoxalin-2-ylpropanamide

(2Z,3S)-N-(2,4-dichlorophenyl)-2-hydrazinylidene-3-nitro-3-quinoxalin-2-ylpropanamide (PubChem CID 92531166) has the molecular formula C17H12Cl2N6O3 and a molecular weight of 419.23 g/mol. Its IUPAC name is (2Z,3S)-N-(2,4-dichlorophenyl)-2-hydrazinylidene-3-nitro-3-quinoxalin-2-ylpropanamide.

Molecular Properties

Compound Name(2Z,3S)-N-(2,4-dichlorophenyl)-2-hydrazinylidene-3-nitro-3-quinoxalin-2-ylpropanamide
PubChem CID92531166
Molecular FormulaC17H12Cl2N6O3
Molecular Weight419.23 g/mol
Exact Mass418.03
IUPAC Name(2Z,3S)-N-(2,4-dichlorophenyl)-2-hydrazinylidene-3-nitro-3-quinoxalin-2-ylpropanamide
SMILESN/N=C(\C(=O)Nc1ccc(Cl)cc1Cl)[C@H](c1cnc2ccccc2n1)[N+](=O)[O-]
InChIInChI=1S/C17H12Cl2N6O3/c18-9-5-6-11(10(19)7-9)23-17(26)15(24-20)16(25(27)28)14-8-21-12-3-1-2-4-13(12)22-14/h1-8,16H,20H2,(H,23,26)/b24-15-/t16-/m0/s1
InChIKeyYOQHIYIFYQFBMO-PHQOBFFQSA-N
XLogP3.21
TPSA136.40 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.23
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(4-chloro-2-iodophenyl)quinoxaline-2-carboxamide
CID 75380970
N'-(2,4-dichlorophenyl)-N-(4-nitrophenyl)oxamide
CID 108502754
N-(2,4-dichlorophenyl)-2-[[2-[(2,4-dichlorophenyl)carbamoyl]phenyl]disulfanyl]benzamide
CID 6483556
2-(2,4-dichlorophenyl)-1-quinoxalin-2-ylethanone
CID 107356679
N'-(2,4-dichlorophenyl)-N-(pyridin-2-ylmethyl)oxamide
CID 108502784
N-(2-amino-4-methylphenyl)-N'-(2,4-dichlorophenyl)oxamide
CID 108502956
4-amino-N-(2,4-dichlorophenyl)-4-phenylbutanamide
CID 63323928
(2,4-dichlorophenyl)hydrazine;nitric acid
CID 138619614
2-(2,4-dichlorophenyl)-2-ethoxy-N-quinolin-3-ylacetamide
CID 127036258
methyl (2R,3Z)-4-(2,5-dichloroanilino)-3-hydrazinylidene-2-(6-nitro-3-oxo-4H-quinoxalin-2-yl)-4-oxobutanoate
CID 98557384
methyl (2R,3E)-4-(2,5-dichloroanilino)-3-hydrazinylidene-2-(6-nitro-3-oxo-4H-quinoxalin-2-yl)-4-oxobutanoate
CID 92525455
(2S)-N-(2,4-dichlorophenyl)-2-methylpentanamide
CID 884870

Frequently Asked Questions

What is the IUPAC name of (2Z,3S)-N-(2,4-dichlorophenyl)-2-hydrazinylidene-3-nitro-3-quinoxalin-2-ylpropanamide?
The IUPAC name of (2Z,3S)-N-(2,4-dichlorophenyl)-2-hydrazinylidene-3-nitro-3-quinoxalin-2-ylpropanamide (CID 92531166) is (2Z,3S)-N-(2,4-dichlorophenyl)-2-hydrazinylidene-3-nitro-3-quinoxalin-2-ylpropanamide.
What is the SMILES notation for (2Z,3S)-N-(2,4-dichlorophenyl)-2-hydrazinylidene-3-nitro-3-quinoxalin-2-ylpropanamide?
The canonical SMILES for (2Z,3S)-N-(2,4-dichlorophenyl)-2-hydrazinylidene-3-nitro-3-quinoxalin-2-ylpropanamide is N/N=C(\C(=O)Nc1ccc(Cl)cc1Cl)[C@H](c1cnc2ccccc2n1)[N+](=O)[O-].
What is the InChIKey of (2Z,3S)-N-(2,4-dichlorophenyl)-2-hydrazinylidene-3-nitro-3-quinoxalin-2-ylpropanamide?
The InChIKey is YOQHIYIFYQFBMO-PHQOBFFQSA-N. The full InChI is InChI=1S/C17H12Cl2N6O3/c18-9-5-6-11(10(19)7-9)23-17(26)15(24-20)16(25(27)28)14-8-21-12-3-1-2-4-13(12)22-14/h1-8,16H,20H2,(H,23,26)/b24-15-/t16-/m0/s1.
What are the key properties of (2Z,3S)-N-(2,4-dichlorophenyl)-2-hydrazinylidene-3-nitro-3-quinoxalin-2-ylpropanamide?
(2Z,3S)-N-(2,4-dichlorophenyl)-2-hydrazinylidene-3-nitro-3-quinoxalin-2-ylpropanamide has a molecular weight of 419.23 g/mol, XLogP of 3.21, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,3S)-N-(2,4-dichlorophenyl)-2-hydrazinylidene-3-nitro-3-quinoxalin-2-ylpropanamide is sourced from PubChem (CID 92531166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).