6-(3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl)-N-methyl-6-oxo-N-propylhexanamide

C19H32N2O2 — CID 123710789

IUPAC6-(3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl)-N-methyl-6-oxo-N-propylhexanamide
SMILESCCCN(C)C(=O)CCCCC(=O)N1CCCC2CCCC=C21
InChIInChI=1S/C19H32N2O2/c1-3-14-20(2)18(22)12-6-7-13-19(23)21-15-8-10-16-9-4-5-11-17(16)21/h11,16H,3-10,12-15H2,1-2H3
InChIKeyLENPOPIZSGJSRY-UHFFFAOYSA-N
MW320.48 g/mol
LogP3.72
Rot. Bonds7

About 6-(3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl)-N-methyl-6-oxo-N-propylhexanamide

6-(3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl)-N-methyl-6-oxo-N-propylhexanamide (PubChem CID 123710789) has the molecular formula C19H32N2O2 and a molecular weight of 320.48 g/mol. Its IUPAC name is 6-(3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl)-N-methyl-6-oxo-N-propylhexanamide.

Molecular Properties

Compound Name6-(3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl)-N-methyl-6-oxo-N-propylhexanamide
PubChem CID123710789
Molecular FormulaC19H32N2O2
Molecular Weight320.48 g/mol
Exact Mass320.25
IUPAC Name6-(3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl)-N-methyl-6-oxo-N-propylhexanamide
SMILESCCCN(C)C(=O)CCCCC(=O)N1CCCC2CCCC=C21
InChIInChI=1S/C19H32N2O2/c1-3-14-20(2)18(22)12-6-7-13-19(23)21-15-8-10-16-9-4-5-11-17(16)21/h11,16H,3-10,12-15H2,1-2H3
InChIKeyLENPOPIZSGJSRY-UHFFFAOYSA-N
XLogP3.72
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.48
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl)-N-methyl-6-oxo-N-propylhexanamide?
The IUPAC name of 6-(3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl)-N-methyl-6-oxo-N-propylhexanamide (CID 123710789) is 6-(3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl)-N-methyl-6-oxo-N-propylhexanamide.
What is the SMILES notation for 6-(3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl)-N-methyl-6-oxo-N-propylhexanamide?
The canonical SMILES for 6-(3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl)-N-methyl-6-oxo-N-propylhexanamide is CCCN(C)C(=O)CCCCC(=O)N1CCCC2CCCC=C21.
What is the InChIKey of 6-(3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl)-N-methyl-6-oxo-N-propylhexanamide?
The InChIKey is LENPOPIZSGJSRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O2/c1-3-14-20(2)18(22)12-6-7-13-19(23)21-15-8-10-16-9-4-5-11-17(16)21/h11,16H,3-10,12-15H2,1-2H3.
What are the key properties of 6-(3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl)-N-methyl-6-oxo-N-propylhexanamide?
6-(3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl)-N-methyl-6-oxo-N-propylhexanamide has a molecular weight of 320.48 g/mol, XLogP of 3.72, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl)-N-methyl-6-oxo-N-propylhexanamide is sourced from PubChem (CID 123710789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).