N-quinolin-3-yl-7-sulfanylheptanamide

C16H20N2OS — CID 10379373

IUPACN-quinolin-3-yl-7-sulfanylheptanamide
SMILESO=C(CCCCCCS)Nc1cnc2ccccc2c1
InChIInChI=1S/C16H20N2OS/c19-16(9-3-1-2-6-10-20)18-14-11-13-7-4-5-8-15(13)17-12-14/h4-5,7-8,11-12,20H,1-3,6,9-10H2,(H,18,19)
InChIKeyXAFIWTHVBLRJFM-UHFFFAOYSA-N
MW288.42 g/mol
LogP4.05
Rot. Bonds7

About N-quinolin-3-yl-7-sulfanylheptanamide

N-quinolin-3-yl-7-sulfanylheptanamide (PubChem CID 10379373) has the molecular formula C16H20N2OS and a molecular weight of 288.42 g/mol. Its IUPAC name is N-quinolin-3-yl-7-sulfanylheptanamide.

Molecular Properties

Compound NameN-quinolin-3-yl-7-sulfanylheptanamide
PubChem CID10379373
Molecular FormulaC16H20N2OS
Molecular Weight288.42 g/mol
Exact Mass288.13
IUPAC NameN-quinolin-3-yl-7-sulfanylheptanamide
SMILESO=C(CCCCCCS)Nc1cnc2ccccc2c1
InChIInChI=1S/C16H20N2OS/c19-16(9-3-1-2-6-10-20)18-14-11-13-7-4-5-8-15(13)17-12-14/h4-5,7-8,11-12,20H,1-3,6,9-10H2,(H,18,19)
InChIKeyXAFIWTHVBLRJFM-UHFFFAOYSA-N
XLogP4.05
TPSA41.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-quinolin-3-yl-7-sulfanylheptanamide?
The IUPAC name of N-quinolin-3-yl-7-sulfanylheptanamide (CID 10379373) is N-quinolin-3-yl-7-sulfanylheptanamide.
What is the SMILES notation for N-quinolin-3-yl-7-sulfanylheptanamide?
The canonical SMILES for N-quinolin-3-yl-7-sulfanylheptanamide is O=C(CCCCCCS)Nc1cnc2ccccc2c1.
What is the InChIKey of N-quinolin-3-yl-7-sulfanylheptanamide?
The InChIKey is XAFIWTHVBLRJFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2OS/c19-16(9-3-1-2-6-10-20)18-14-11-13-7-4-5-8-15(13)17-12-14/h4-5,7-8,11-12,20H,1-3,6,9-10H2,(H,18,19).
What are the key properties of N-quinolin-3-yl-7-sulfanylheptanamide?
N-quinolin-3-yl-7-sulfanylheptanamide has a molecular weight of 288.42 g/mol, XLogP of 4.05, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-quinolin-3-yl-7-sulfanylheptanamide is sourced from PubChem (CID 10379373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).