6-[(4-ethanimidoyl-3-iminoquinoxalin-2-yl)amino]-N-(2-methylpropyl)hexanamide

C20H30N6O — CID 142406497

IUPAC6-[(4-ethanimidoyl-3-iminoquinoxalin-2-yl)amino]-N-(2-methylpropyl)hexanamide
SMILES[H]/N=C(\C)n1/c(=N/[H])c(NCCCCCC(=O)NCC(C)C)nc2ccccc21
InChIInChI=1S/C20H30N6O/c1-14(2)13-24-18(27)11-5-4-8-12-23-20-19(22)26(15(3)21)17-10-7-6-9-16(17)25-20/h6-7,9-10,14,21-22H,4-5,8,11-13H2,1-3H3,(H,23,25)(H,24,27)/b21-15+,22-19+
InChIKeyFBVBXXUAIBBUHL-YHRNEYPQSA-N
MW370.50 g/mol
LogP3.11
Rot. Bonds9

About 6-[(4-ethanimidoyl-3-iminoquinoxalin-2-yl)amino]-N-(2-methylpropyl)hexanamide

6-[(4-ethanimidoyl-3-iminoquinoxalin-2-yl)amino]-N-(2-methylpropyl)hexanamide (PubChem CID 142406497) has the molecular formula C20H30N6O and a molecular weight of 370.50 g/mol. Its IUPAC name is 6-[(4-ethanimidoyl-3-iminoquinoxalin-2-yl)amino]-N-(2-methylpropyl)hexanamide.

Molecular Properties

Compound Name6-[(4-ethanimidoyl-3-iminoquinoxalin-2-yl)amino]-N-(2-methylpropyl)hexanamide
PubChem CID142406497
Molecular FormulaC20H30N6O
Molecular Weight370.50 g/mol
Exact Mass370.25
IUPAC Name6-[(4-ethanimidoyl-3-iminoquinoxalin-2-yl)amino]-N-(2-methylpropyl)hexanamide
SMILES[H]/N=C(\C)n1/c(=N/[H])c(NCCCCCC(=O)NCC(C)C)nc2ccccc21
InChIInChI=1S/C20H30N6O/c1-14(2)13-24-18(27)11-5-4-8-12-23-20-19(22)26(15(3)21)17-10-7-6-9-16(17)25-20/h6-7,9-10,14,21-22H,4-5,8,11-13H2,1-3H3,(H,23,25)(H,24,27)/b21-15+,22-19+
InChIKeyFBVBXXUAIBBUHL-YHRNEYPQSA-N
XLogP3.11
TPSA106.65 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 53.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[4-[[3-imino-4-(2-methylpropanimidoyl)quinoxalin-2-yl]amino]butyl]carbamate;molecular hydrogen
CID 142406546
tert-butyl 6-[(1-propan-2-yl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)amino]hexanoate
CID 162164022
N-(2-methylpropyl)-5-phenylpentanamide
CID 110297876
ethane;N-[4-[(3-imino-6-methoxy-4-propan-2-ylquinoxalin-2-yl)amino]butyl]-3,3-dimethylbutanamide;molecular hydrogen
CID 142406594
N-[4-[(1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)amino]butyl]acetamide
CID 146342013
2-(2-methylbenzimidazol-1-yl)-N-(2-methylpropylcarbamoyl)acetamide
CID 7755635
2-[2-(4-tert-butylphenyl)benzimidazol-1-yl]-N-(2-methylpropyl)acetamide
CID 84571354
7-amino-N-[(1-methylbenzimidazol-2-yl)methyl]heptanamide;dihydrochloride
CID 119834811
N-(2-aminoethyl)-3-(2-propan-2-ylbenzimidazol-1-yl)propanamide
CID 82150212
(E)-N-[5-[1-(3-oxobutan-2-yl)benzimidazol-2-yl]pentyl]-3-phenylprop-2-enamide
CID 16992830
N-(2-methylpropyl)-5-(propan-2-ylamino)pentanamide
CID 146802070
6-amino-N-[2-(2-methylbenzimidazol-1-yl)ethyl]hexanamide
CID 61275163

Frequently Asked Questions

What is the IUPAC name of 6-[(4-ethanimidoyl-3-iminoquinoxalin-2-yl)amino]-N-(2-methylpropyl)hexanamide?
The IUPAC name of 6-[(4-ethanimidoyl-3-iminoquinoxalin-2-yl)amino]-N-(2-methylpropyl)hexanamide (CID 142406497) is 6-[(4-ethanimidoyl-3-iminoquinoxalin-2-yl)amino]-N-(2-methylpropyl)hexanamide.
What is the SMILES notation for 6-[(4-ethanimidoyl-3-iminoquinoxalin-2-yl)amino]-N-(2-methylpropyl)hexanamide?
The canonical SMILES for 6-[(4-ethanimidoyl-3-iminoquinoxalin-2-yl)amino]-N-(2-methylpropyl)hexanamide is [H]/N=C(\C)n1/c(=N/[H])c(NCCCCCC(=O)NCC(C)C)nc2ccccc21.
What is the InChIKey of 6-[(4-ethanimidoyl-3-iminoquinoxalin-2-yl)amino]-N-(2-methylpropyl)hexanamide?
The InChIKey is FBVBXXUAIBBUHL-YHRNEYPQSA-N. The full InChI is InChI=1S/C20H30N6O/c1-14(2)13-24-18(27)11-5-4-8-12-23-20-19(22)26(15(3)21)17-10-7-6-9-16(17)25-20/h6-7,9-10,14,21-22H,4-5,8,11-13H2,1-3H3,(H,23,25)(H,24,27)/b21-15+,22-19+.
What are the key properties of 6-[(4-ethanimidoyl-3-iminoquinoxalin-2-yl)amino]-N-(2-methylpropyl)hexanamide?
6-[(4-ethanimidoyl-3-iminoquinoxalin-2-yl)amino]-N-(2-methylpropyl)hexanamide has a molecular weight of 370.50 g/mol, XLogP of 3.11, 9 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-ethanimidoyl-3-iminoquinoxalin-2-yl)amino]-N-(2-methylpropyl)hexanamide is sourced from PubChem (CID 142406497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).