N'-diazenyl-4-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]thieno[3,2-c]quinoline-7-carboximidamide

C21H27N7S — CID 143858137

IUPACN'-diazenyl-4-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]thieno[3,2-c]quinoline-7-carboximidamide
SMILES[H]/N=N/N=C(\N)c1ccc2c(c1)nc(NC1CC(C)(C)NC(C)(C)C1)c1ccsc12
InChIInChI=1S/C21H27N7S/c1-20(2)10-13(11-21(3,4)27-20)24-19-15-7-8-29-17(15)14-6-5-12(9-16(14)25-19)18(22)26-28-23/h5-9,13,27H,10-11H2,1-4H3,(H,24,25)(H3,22,23,26)
InChIKeyQSRBBAPIWBHDKN-UHFFFAOYSA-N
MW409.56 g/mol
LogP4.82
Rot. Bonds4

About N'-diazenyl-4-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]thieno[3,2-c]quinoline-7-carboximidamide

N'-diazenyl-4-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]thieno[3,2-c]quinoline-7-carboximidamide (PubChem CID 143858137) has the molecular formula C21H27N7S and a molecular weight of 409.56 g/mol. Its IUPAC name is N'-diazenyl-4-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]thieno[3,2-c]quinoline-7-carboximidamide.

Molecular Properties

Compound NameN'-diazenyl-4-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]thieno[3,2-c]quinoline-7-carboximidamide
PubChem CID143858137
Molecular FormulaC21H27N7S
Molecular Weight409.56 g/mol
Exact Mass409.20
IUPAC NameN'-diazenyl-4-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]thieno[3,2-c]quinoline-7-carboximidamide
SMILES[H]/N=N/N=C(\N)c1ccc2c(c1)nc(NC1CC(C)(C)NC(C)(C)C1)c1ccsc12
InChIInChI=1S/C21H27N7S/c1-20(2)10-13(11-21(3,4)27-20)24-19-15-7-8-29-17(15)14-6-5-12(9-16(14)25-19)18(22)26-28-23/h5-9,13,27H,10-11H2,1-4H3,(H,24,25)(H3,22,23,26)
InChIKeyQSRBBAPIWBHDKN-UHFFFAOYSA-N
XLogP4.82
TPSA111.54 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.56
LogP ≤ 54.82
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-diazenyl-4-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]thieno[3,2-c]quinoline-7-carboximidamide?
The IUPAC name of N'-diazenyl-4-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]thieno[3,2-c]quinoline-7-carboximidamide (CID 143858137) is N'-diazenyl-4-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]thieno[3,2-c]quinoline-7-carboximidamide.
What is the SMILES notation for N'-diazenyl-4-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]thieno[3,2-c]quinoline-7-carboximidamide?
The canonical SMILES for N'-diazenyl-4-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]thieno[3,2-c]quinoline-7-carboximidamide is [H]/N=N/N=C(\N)c1ccc2c(c1)nc(NC1CC(C)(C)NC(C)(C)C1)c1ccsc12.
What is the InChIKey of N'-diazenyl-4-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]thieno[3,2-c]quinoline-7-carboximidamide?
The InChIKey is QSRBBAPIWBHDKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N7S/c1-20(2)10-13(11-21(3,4)27-20)24-19-15-7-8-29-17(15)14-6-5-12(9-16(14)25-19)18(22)26-28-23/h5-9,13,27H,10-11H2,1-4H3,(H,24,25)(H3,22,23,26).
What are the key properties of N'-diazenyl-4-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]thieno[3,2-c]quinoline-7-carboximidamide?
N'-diazenyl-4-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]thieno[3,2-c]quinoline-7-carboximidamide has a molecular weight of 409.56 g/mol, XLogP of 4.82, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-diazenyl-4-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]thieno[3,2-c]quinoline-7-carboximidamide is sourced from PubChem (CID 143858137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).