[(2R)-4-methyl-1-oxo-1-[2-(quinoxalin-6-ylmethylidene)hydrazinyl]pentan-2-yl]azanium chloride

C15H20ClN5O — CID 71965813

IUPAC[(2R)-4-methyl-1-oxo-1-[2-(quinoxalin-6-ylmethylidene)hydrazinyl]pentan-2-yl]azanium chloride
SMILESCC(C)C[C@@H]([NH3+])C(=O)NN=Cc1ccc2nccnc2c1.[Cl-]
InChIInChI=1S/C15H19N5O.ClH/c1-10(2)7-12(16)15(21)20-19-9-11-3-4-13-14(8-11)18-6-5-17-13;/h3-6,8-10,12H,7,16H2,1-2H3,(H,20,21);1H/t12-;/m1./s1
InChIKeySKGBHEUUQWTKEA-UTONKHPSSA-N
MW321.81 g/mol
LogP-2.26
Rot. Bonds5

About [(2R)-4-methyl-1-oxo-1-[2-(quinoxalin-6-ylmethylidene)hydrazinyl]pentan-2-yl]azanium chloride

[(2R)-4-methyl-1-oxo-1-[2-(quinoxalin-6-ylmethylidene)hydrazinyl]pentan-2-yl]azanium chloride (PubChem CID 71965813) has the molecular formula C15H20ClN5O and a molecular weight of 321.81 g/mol. Its IUPAC name is [(2R)-4-methyl-1-oxo-1-[2-(quinoxalin-6-ylmethylidene)hydrazinyl]pentan-2-yl]azanium chloride.

Molecular Properties

Compound Name[(2R)-4-methyl-1-oxo-1-[2-(quinoxalin-6-ylmethylidene)hydrazinyl]pentan-2-yl]azanium chloride
PubChem CID71965813
Molecular FormulaC15H20ClN5O
Molecular Weight321.81 g/mol
Exact Mass321.14
IUPAC Name[(2R)-4-methyl-1-oxo-1-[2-(quinoxalin-6-ylmethylidene)hydrazinyl]pentan-2-yl]azanium chloride
SMILESCC(C)C[C@@H]([NH3+])C(=O)NN=Cc1ccc2nccnc2c1.[Cl-]
InChIInChI=1S/C15H19N5O.ClH/c1-10(2)7-12(16)15(21)20-19-9-11-3-4-13-14(8-11)18-6-5-17-13;/h3-6,8-10,12H,7,16H2,1-2H3,(H,20,21);1H/t12-;/m1./s1
InChIKeySKGBHEUUQWTKEA-UTONKHPSSA-N
XLogP-2.26
TPSA94.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.81
LogP ≤ 5-2.26
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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Related Compounds

2-amino-3-methyl-N-[(E)-quinoxalin-6-ylmethylideneamino]butanamide;hydrochloride
CID 163331290
2-amino-3-methyl-N-(quinoxalin-6-ylmethylideneamino)butanamide;hydrochloride
CID 73307558
[(2R)-3-methyl-1-oxo-1-[(2E)-2-(quinolin-6-ylmethylidene)hydrazinyl]pentan-2-yl]azanium;chloride;hydrochloride
CID 44664247
2-amino-3-(1H-indol-3-yl)-N-[(Z)-quinoxalin-6-ylmethylideneamino]propanamide;hydrochloride
CID 134692171
N-(quinoxalin-6-ylmethylideneamino)-2-(2,4,5-trichlorophenoxy)acetamide
CID 71961721
(2S)-2-amino-4-methyl-N-quinoxalin-6-ylpentanamide
CID 61179769
4-fluoro-N-[(E)-quinoxalin-6-ylmethylideneamino]aniline
CID 175279468
(2S)-N-[(E)-(3,4-dichlorophenyl)methylideneamino]-2-[(2S)-1-[(2Z)-2-[(3,4-dichlorophenyl)methylidene]hydrazinyl]-1-oxopropan-2-yl]sulfanylpropanamide
CID 98573534
2-methyl-N-(pyridin-4-ylmethylideneamino)propanamide
CID 54421020
tert-butyl N-[(2S,3R)-3-methyl-1-oxo-1-[(2Z)-2-(quinolin-6-ylmethylidene)hydrazinyl]pentan-2-yl]carbamate
CID 6585117
4-bromo-N-[(E)-quinoxalin-6-ylmethylideneamino]aniline
CID 174698700
[(2R)-3-methyl-1-oxo-1-[(2E)-2-(quinolin-8-ylmethylidene)hydrazinyl]pentan-2-yl]azanium;chloride;hydrochloride
CID 44666494

Frequently Asked Questions

What is the IUPAC name of [(2R)-4-methyl-1-oxo-1-[2-(quinoxalin-6-ylmethylidene)hydrazinyl]pentan-2-yl]azanium chloride?
The IUPAC name of [(2R)-4-methyl-1-oxo-1-[2-(quinoxalin-6-ylmethylidene)hydrazinyl]pentan-2-yl]azanium chloride (CID 71965813) is [(2R)-4-methyl-1-oxo-1-[2-(quinoxalin-6-ylmethylidene)hydrazinyl]pentan-2-yl]azanium chloride.
What is the SMILES notation for [(2R)-4-methyl-1-oxo-1-[2-(quinoxalin-6-ylmethylidene)hydrazinyl]pentan-2-yl]azanium chloride?
The canonical SMILES for [(2R)-4-methyl-1-oxo-1-[2-(quinoxalin-6-ylmethylidene)hydrazinyl]pentan-2-yl]azanium chloride is CC(C)C[C@@H]([NH3+])C(=O)NN=Cc1ccc2nccnc2c1.[Cl-].
What is the InChIKey of [(2R)-4-methyl-1-oxo-1-[2-(quinoxalin-6-ylmethylidene)hydrazinyl]pentan-2-yl]azanium chloride?
The InChIKey is SKGBHEUUQWTKEA-UTONKHPSSA-N. The full InChI is InChI=1S/C15H19N5O.ClH/c1-10(2)7-12(16)15(21)20-19-9-11-3-4-13-14(8-11)18-6-5-17-13;/h3-6,8-10,12H,7,16H2,1-2H3,(H,20,21);1H/t12-;/m1./s1.
What are the key properties of [(2R)-4-methyl-1-oxo-1-[2-(quinoxalin-6-ylmethylidene)hydrazinyl]pentan-2-yl]azanium chloride?
[(2R)-4-methyl-1-oxo-1-[2-(quinoxalin-6-ylmethylidene)hydrazinyl]pentan-2-yl]azanium chloride has a molecular weight of 321.81 g/mol, XLogP of -2.26, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-4-methyl-1-oxo-1-[2-(quinoxalin-6-ylmethylidene)hydrazinyl]pentan-2-yl]azanium chloride is sourced from PubChem (CID 71965813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).