N-[6-(aminosulfanylamino)hexan-2-yl]quinoline-8-carboxamide;N-quinolin-8-ylformamide

C26H30N6O2S — CID 143592817

IUPACN-[6-(aminosulfanylamino)hexan-2-yl]quinoline-8-carboxamide;N-quinolin-8-ylformamide
SMILESCC(CCCCNSN)NC(=O)c1cccc2cccnc12.O=CNc1cccc2cccnc12
InChIInChI=1S/C16H22N4OS.C10H8N2O/c1-12(6-2-3-11-19-22-17)20-16(21)14-9-4-7-13-8-5-10-18-15(13)14;13-7-12-9-5-1-3-8-4-2-6-11-10(8)9/h4-5,7-10,12,19H,2-3,6,11,17H2,1H3,(H,20,21);1-7H,(H,12,13)
InChIKeyDCFVAHIRIRDCBR-UHFFFAOYSA-N
MW490.63 g/mol
LogP4.44
Rot. Bonds10

About N-[6-(aminosulfanylamino)hexan-2-yl]quinoline-8-carboxamide;N-quinolin-8-ylformamide

N-[6-(aminosulfanylamino)hexan-2-yl]quinoline-8-carboxamide;N-quinolin-8-ylformamide (PubChem CID 143592817) has the molecular formula C26H30N6O2S and a molecular weight of 490.63 g/mol. Its IUPAC name is N-[6-(aminosulfanylamino)hexan-2-yl]quinoline-8-carboxamide;N-quinolin-8-ylformamide.

Molecular Properties

Compound NameN-[6-(aminosulfanylamino)hexan-2-yl]quinoline-8-carboxamide;N-quinolin-8-ylformamide
PubChem CID143592817
Molecular FormulaC26H30N6O2S
Molecular Weight490.63 g/mol
Exact Mass490.22
IUPAC NameN-[6-(aminosulfanylamino)hexan-2-yl]quinoline-8-carboxamide;N-quinolin-8-ylformamide
SMILESCC(CCCCNSN)NC(=O)c1cccc2cccnc12.O=CNc1cccc2cccnc12
InChIInChI=1S/C16H22N4OS.C10H8N2O/c1-12(6-2-3-11-19-22-17)20-16(21)14-9-4-7-13-8-5-10-18-15(13)14;13-7-12-9-5-1-3-8-4-2-6-11-10(8)9/h4-5,7-10,12,19H,2-3,6,11,17H2,1H3,(H,20,21);1-7H,(H,12,13)
InChIKeyDCFVAHIRIRDCBR-UHFFFAOYSA-N
XLogP4.44
TPSA122.03 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.63
LogP ≤ 54.44
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[6-(aminosulfanylamino)hexan-2-yl]quinoline-8-carboxamide;N-quinolin-8-ylformamide with MolForge

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Related Compounds

N-(4-bromobutan-2-yl)quinoline-8-carboxamide
CID 83178653
N-[6-(aminosulfanylamino)-1-oxohexan-2-yl]-1H-indole-6-carboxamide;N-methylquinolin-8-amine
CID 143592967
N-[1-oxo-1-(quinolin-8-ylamino)-6-(sulfamoylamino)hexan-2-yl]quinoline-8-carboxamide
CID 59028912
N-(1-phenylethyl)quinoline-8-carboxamide
CID 51180563
2-amino-N-heptan-2-ylpyridine-3-carboxamide
CID 62073629
N-[2-(methylamino)propyl]quinoline-8-carboxamide;dihydrochloride
CID 120829987
N-[(3S)-2-hydroxy-2,4-dimethylpentan-3-yl]quinoline-8-carboxamide
CID 136581170
N-[1-(4-bromophenyl)ethyl]quinoline-8-carboxamide
CID 134028939
N-(4-aminobutan-2-yl)quinoxaline-5-carboxamide
CID 104613993
N-(4-chloro-1-methoxybutan-2-yl)quinoline-8-carboxamide
CID 106155330
N-butan-2-yl-6-(quinolin-8-ylamino)pyridazine-3-carboxamide
CID 109111701
2-chloro-N-(1-phenylpropan-2-yl)benzamide;N-quinolin-5-ylformamide
CID 144901091

Frequently Asked Questions

What is the IUPAC name of N-[6-(aminosulfanylamino)hexan-2-yl]quinoline-8-carboxamide;N-quinolin-8-ylformamide?
The IUPAC name of N-[6-(aminosulfanylamino)hexan-2-yl]quinoline-8-carboxamide;N-quinolin-8-ylformamide (CID 143592817) is N-[6-(aminosulfanylamino)hexan-2-yl]quinoline-8-carboxamide;N-quinolin-8-ylformamide.
What is the SMILES notation for N-[6-(aminosulfanylamino)hexan-2-yl]quinoline-8-carboxamide;N-quinolin-8-ylformamide?
The canonical SMILES for N-[6-(aminosulfanylamino)hexan-2-yl]quinoline-8-carboxamide;N-quinolin-8-ylformamide is CC(CCCCNSN)NC(=O)c1cccc2cccnc12.O=CNc1cccc2cccnc12.
What is the InChIKey of N-[6-(aminosulfanylamino)hexan-2-yl]quinoline-8-carboxamide;N-quinolin-8-ylformamide?
The InChIKey is DCFVAHIRIRDCBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4OS.C10H8N2O/c1-12(6-2-3-11-19-22-17)20-16(21)14-9-4-7-13-8-5-10-18-15(13)14;13-7-12-9-5-1-3-8-4-2-6-11-10(8)9/h4-5,7-10,12,19H,2-3,6,11,17H2,1H3,(H,20,21);1-7H,(H,12,13).
What are the key properties of N-[6-(aminosulfanylamino)hexan-2-yl]quinoline-8-carboxamide;N-quinolin-8-ylformamide?
N-[6-(aminosulfanylamino)hexan-2-yl]quinoline-8-carboxamide;N-quinolin-8-ylformamide has a molecular weight of 490.63 g/mol, XLogP of 4.44, 10 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(aminosulfanylamino)hexan-2-yl]quinoline-8-carboxamide;N-quinolin-8-ylformamide is sourced from PubChem (CID 143592817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).