N-(2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)hexanamide

C18H22N2O — CID 5127539

IUPACN-(2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)hexanamide
SMILESCCCCCC(=O)Nc1c2c(nc3ccccc13)CCC2
InChIInChI=1S/C18H22N2O/c1-2-3-4-12-17(21)20-18-13-8-5-6-10-15(13)19-16-11-7-9-14(16)18/h5-6,8,10H,2-4,7,9,11-12H2,1H3,(H,19,20,21)
InChIKeyWQWCIFIOXZLSHP-UHFFFAOYSA-N
MW282.39 g/mol
LogP4.24
Rot. Bonds5

About N-(2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)hexanamide

N-(2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)hexanamide (PubChem CID 5127539) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)hexanamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)hexanamide
PubChem CID5127539
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC NameN-(2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)hexanamide
SMILESCCCCCC(=O)Nc1c2c(nc3ccccc13)CCC2
InChIInChI=1S/C18H22N2O/c1-2-3-4-12-17(21)20-18-13-8-5-6-10-15(13)19-16-11-7-9-14(16)18/h5-6,8,10H,2-4,7,9,11-12H2,1H3,(H,19,20,21)
InChIKeyWQWCIFIOXZLSHP-UHFFFAOYSA-N
XLogP4.24
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 54.24
H-Bond Donors ≤ 51
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 N-(2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)hexanamide?
The IUPAC name of N-(2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)hexanamide (CID 5127539) is N-(2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)hexanamide.
What is the SMILES notation for N-(2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)hexanamide?
The canonical SMILES for N-(2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)hexanamide is CCCCCC(=O)Nc1c2c(nc3ccccc13)CCC2.
What is the InChIKey of N-(2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)hexanamide?
The InChIKey is WQWCIFIOXZLSHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-2-3-4-12-17(21)20-18-13-8-5-6-10-15(13)19-16-11-7-9-14(16)18/h5-6,8,10H,2-4,7,9,11-12H2,1H3,(H,19,20,21).
What are the key properties of N-(2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)hexanamide?
N-(2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)hexanamide has a molecular weight of 282.39 g/mol, XLogP of 4.24, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)hexanamide is sourced from PubChem (CID 5127539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).