5-(3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl)-N-cyclooctyl-5-oxopentanamide

C22H36N2O2 — CID 123268617

IUPAC5-(3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl)-N-cyclooctyl-5-oxopentanamide
SMILESO=C(CCCC(=O)N1CCCC2CCCC=C21)NC1CCCCCCC1
InChIInChI=1S/C22H36N2O2/c25-21(23-19-12-4-2-1-3-5-13-19)15-8-16-22(26)24-17-9-11-18-10-6-7-14-20(18)24/h14,18-19H,1-13,15-17H2,(H,23,25)
InChIKeyLKUPLEAGTABNJB-UHFFFAOYSA-N
MW360.54 g/mol
LogP4.69
Rot. Bonds5

About 5-(3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl)-N-cyclooctyl-5-oxopentanamide

5-(3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl)-N-cyclooctyl-5-oxopentanamide (PubChem CID 123268617) has the molecular formula C22H36N2O2 and a molecular weight of 360.54 g/mol. Its IUPAC name is 5-(3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl)-N-cyclooctyl-5-oxopentanamide.

Molecular Properties

Compound Name5-(3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl)-N-cyclooctyl-5-oxopentanamide
PubChem CID123268617
Molecular FormulaC22H36N2O2
Molecular Weight360.54 g/mol
Exact Mass360.28
IUPAC Name5-(3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl)-N-cyclooctyl-5-oxopentanamide
SMILESO=C(CCCC(=O)N1CCCC2CCCC=C21)NC1CCCCCCC1
InChIInChI=1S/C22H36N2O2/c25-21(23-19-12-4-2-1-3-5-13-19)15-8-16-22(26)24-17-9-11-18-10-6-7-14-20(18)24/h14,18-19H,1-13,15-17H2,(H,23,25)
InChIKeyLKUPLEAGTABNJB-UHFFFAOYSA-N
XLogP4.69
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.54
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-(3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl)-N-cyclooctyl-5-oxopentanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl)-N-(9H-fluoren-9-yl)-5-oxopentanamide
CID 123491834
N-(1-adamantyl)-6-(3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl)-6-oxohexanamide
CID 123493465
N-[3-(cyclopentylcarbamothioylamino)propyl]-3,4,4a,5,6,7-hexahydro-2H-quinoline-1-carboxamide
CID 123858358
N-[3-(3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl)-3-oxopropyl]-2-thiophen-2-ylacetamide
CID 66794253
S-[3-(2-adamantylamino)-3-oxopropyl] 3,4,4a,5,6,7-hexahydro-2H-quinoline-1-carbothioate
CID 123810863
5-(3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl)-N-(2-amino-2-oxoethyl)-5-oxo-N-(2-phenylethyl)pentanamide
CID 123948744
N-cyclohexyl-5-hydroxypentanamide
CID 11367641
1-[4-(3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl)-4-oxobutyl]-3-(4-thiophen-2-yloxan-4-yl)urea
CID 66794709
N-cyclohexyl-4-(2,5-dioxopyrrolidin-1-yl)butanamide
CID 17034995
N-[3-(3,4,4a,5,6,7-hexahydro-1H-isoquinolin-2-yl)-3-oxopropyl]-3,4,4a,5,6,7-hexahydro-2H-quinoline-1-carboxamide
CID 123719557
5-chloro-N-cyclooctylpentanamide
CID 28733608
N-cyclooctyl-5-oxo-5-phenylpentanamide
CID 20969095

Frequently Asked Questions

What is the IUPAC name of 5-(3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl)-N-cyclooctyl-5-oxopentanamide?
The IUPAC name of 5-(3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl)-N-cyclooctyl-5-oxopentanamide (CID 123268617) is 5-(3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl)-N-cyclooctyl-5-oxopentanamide.
What is the SMILES notation for 5-(3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl)-N-cyclooctyl-5-oxopentanamide?
The canonical SMILES for 5-(3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl)-N-cyclooctyl-5-oxopentanamide is O=C(CCCC(=O)N1CCCC2CCCC=C21)NC1CCCCCCC1.
What is the InChIKey of 5-(3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl)-N-cyclooctyl-5-oxopentanamide?
The InChIKey is LKUPLEAGTABNJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36N2O2/c25-21(23-19-12-4-2-1-3-5-13-19)15-8-16-22(26)24-17-9-11-18-10-6-7-14-20(18)24/h14,18-19H,1-13,15-17H2,(H,23,25).
What are the key properties of 5-(3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl)-N-cyclooctyl-5-oxopentanamide?
5-(3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl)-N-cyclooctyl-5-oxopentanamide has a molecular weight of 360.54 g/mol, XLogP of 4.69, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl)-N-cyclooctyl-5-oxopentanamide is sourced from PubChem (CID 123268617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).