2-ethyl-N-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-yl)hexanamide

C20H30N2O — CID 2852561

IUPAC2-ethyl-N-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-yl)hexanamide
SMILESCCCCC(CC)C(=O)Nc1c2c(nc3c1CCC3)CCCC2
InChIInChI=1S/C20H30N2O/c1-3-5-9-14(4-2)20(23)22-19-15-10-6-7-12-17(15)21-18-13-8-11-16(18)19/h14H,3-13H2,1-2H3,(H,21,22,23)
InChIKeyVQMXUUAJYSOUIC-UHFFFAOYSA-N
MW314.47 g/mol
LogP4.60
Rot. Bonds6

About 2-ethyl-N-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-yl)hexanamide

2-ethyl-N-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-yl)hexanamide (PubChem CID 2852561) has the molecular formula C20H30N2O and a molecular weight of 314.47 g/mol. Its IUPAC name is 2-ethyl-N-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-yl)hexanamide.

Molecular Properties

Compound Name2-ethyl-N-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-yl)hexanamide
PubChem CID2852561
Molecular FormulaC20H30N2O
Molecular Weight314.47 g/mol
Exact Mass314.24
IUPAC Name2-ethyl-N-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-yl)hexanamide
SMILESCCCCC(CC)C(=O)Nc1c2c(nc3c1CCC3)CCCC2
InChIInChI=1S/C20H30N2O/c1-3-5-9-14(4-2)20(23)22-19-15-10-6-7-12-17(15)21-18-13-8-11-16(18)19/h14H,3-13H2,1-2H3,(H,21,22,23)
InChIKeyVQMXUUAJYSOUIC-UHFFFAOYSA-N
XLogP4.60
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.47
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-yl)hexanamide?
The IUPAC name of 2-ethyl-N-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-yl)hexanamide (CID 2852561) is 2-ethyl-N-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-yl)hexanamide.
What is the SMILES notation for 2-ethyl-N-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-yl)hexanamide?
The canonical SMILES for 2-ethyl-N-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-yl)hexanamide is CCCCC(CC)C(=O)Nc1c2c(nc3c1CCC3)CCCC2.
What is the InChIKey of 2-ethyl-N-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-yl)hexanamide?
The InChIKey is VQMXUUAJYSOUIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O/c1-3-5-9-14(4-2)20(23)22-19-15-10-6-7-12-17(15)21-18-13-8-11-16(18)19/h14H,3-13H2,1-2H3,(H,21,22,23).
What are the key properties of 2-ethyl-N-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-yl)hexanamide?
2-ethyl-N-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-yl)hexanamide has a molecular weight of 314.47 g/mol, XLogP of 4.60, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-yl)hexanamide is sourced from PubChem (CID 2852561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).