2-amino-3-methyl-N-(quinoxalin-6-ylmethylideneamino)butanamide;hydrochloride

C14H18ClN5O — CID 73307558

IUPAC2-amino-3-methyl-N-(quinoxalin-6-ylmethylideneamino)butanamide;hydrochloride
SMILESCC(C)C(N)C(=O)NN=Cc1ccc2nccnc2c1.Cl
InChIInChI=1S/C14H17N5O.ClH/c1-9(2)13(15)14(20)19-18-8-10-3-4-11-12(7-10)17-6-5-16-11;/h3-9,13H,15H2,1-2H3,(H,19,20);1H
InChIKeyGGWXCNWQIDVRKY-UHFFFAOYSA-N
MW307.79 g/mol
LogP1.49
Rot. Bonds4

About 2-amino-3-methyl-N-(quinoxalin-6-ylmethylideneamino)butanamide;hydrochloride

2-amino-3-methyl-N-(quinoxalin-6-ylmethylideneamino)butanamide;hydrochloride (PubChem CID 73307558) has the molecular formula C14H18ClN5O and a molecular weight of 307.79 g/mol. Its IUPAC name is 2-amino-3-methyl-N-(quinoxalin-6-ylmethylideneamino)butanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-3-methyl-N-(quinoxalin-6-ylmethylideneamino)butanamide;hydrochloride
PubChem CID73307558
Molecular FormulaC14H18ClN5O
Molecular Weight307.79 g/mol
Exact Mass307.12
IUPAC Name2-amino-3-methyl-N-(quinoxalin-6-ylmethylideneamino)butanamide;hydrochloride
SMILESCC(C)C(N)C(=O)NN=Cc1ccc2nccnc2c1.Cl
InChIInChI=1S/C14H17N5O.ClH/c1-9(2)13(15)14(20)19-18-8-10-3-4-11-12(7-10)17-6-5-16-11;/h3-9,13H,15H2,1-2H3,(H,19,20);1H
InChIKeyGGWXCNWQIDVRKY-UHFFFAOYSA-N
XLogP1.49
TPSA93.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.79
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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
[(2R)-4-methyl-1-oxo-1-[2-(quinoxalin-6-ylmethylidene)hydrazinyl]pentan-2-yl]azanium chloride
CID 71965813
2-amino-3-(1H-indol-3-yl)-N-[(Z)-quinoxalin-6-ylmethylideneamino]propanamide;hydrochloride
CID 134692171
[(2R)-3-methyl-1-oxo-1-[(2E)-2-(quinolin-6-ylmethylidene)hydrazinyl]pentan-2-yl]azanium;chloride;hydrochloride
CID 44664247
2-amino-N-[(6-methoxyquinolin-2-yl)methylideneamino]-3-methylbutanamide
CID 3724274
N-(quinoxalin-6-ylmethylideneamino)-2-(2,4,5-trichlorophenoxy)acetamide
CID 71961721
(2S)-N-[(E)-(3,4-dichlorophenyl)methylideneamino]-2-[(2S)-1-[(2Z)-2-[(3,4-dichlorophenyl)methylidene]hydrazinyl]-1-oxopropan-2-yl]sulfanylpropanamide
CID 98573534
(2R)-2-amino-3,3-dimethyl-N-quinoxalin-6-ylbutanamide
CID 103929010
2-methyl-N-(pyridin-4-ylmethylideneamino)propanamide
CID 54421020
4-fluoro-N-[(E)-quinoxalin-6-ylmethylideneamino]aniline
CID 175279468
(2S)-2-amino-4-methyl-N-quinoxalin-6-ylpentanamide
CID 61179769
2-amino-N-[(6-chloro-4-oxochromen-3-yl)methylideneamino]-3-methylbutanamide
CID 4585020

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methyl-N-(quinoxalin-6-ylmethylideneamino)butanamide;hydrochloride?
The IUPAC name of 2-amino-3-methyl-N-(quinoxalin-6-ylmethylideneamino)butanamide;hydrochloride (CID 73307558) is 2-amino-3-methyl-N-(quinoxalin-6-ylmethylideneamino)butanamide;hydrochloride.
What is the SMILES notation for 2-amino-3-methyl-N-(quinoxalin-6-ylmethylideneamino)butanamide;hydrochloride?
The canonical SMILES for 2-amino-3-methyl-N-(quinoxalin-6-ylmethylideneamino)butanamide;hydrochloride is CC(C)C(N)C(=O)NN=Cc1ccc2nccnc2c1.Cl.
What is the InChIKey of 2-amino-3-methyl-N-(quinoxalin-6-ylmethylideneamino)butanamide;hydrochloride?
The InChIKey is GGWXCNWQIDVRKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O.ClH/c1-9(2)13(15)14(20)19-18-8-10-3-4-11-12(7-10)17-6-5-16-11;/h3-9,13H,15H2,1-2H3,(H,19,20);1H.
What are the key properties of 2-amino-3-methyl-N-(quinoxalin-6-ylmethylideneamino)butanamide;hydrochloride?
2-amino-3-methyl-N-(quinoxalin-6-ylmethylideneamino)butanamide;hydrochloride has a molecular weight of 307.79 g/mol, XLogP of 1.49, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methyl-N-(quinoxalin-6-ylmethylideneamino)butanamide;hydrochloride is sourced from PubChem (CID 73307558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).