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

C19H28N2O — CID 604511

IUPACN-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-yl)heptanamide
SMILESCCCCCCC(=O)Nc1c2c(nc3c1CCC3)CCCC2
InChIInChI=1S/C19H28N2O/c1-2-3-4-5-13-18(22)21-19-14-9-6-7-11-16(14)20-17-12-8-10-15(17)19/h2-13H2,1H3,(H,20,21,22)
InChIKeyOJWOWYJQDMXMRZ-UHFFFAOYSA-N
MW300.45 g/mol
LogP4.36
Rot. Bonds6

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

N-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-yl)heptanamide (PubChem CID 604511) has the molecular formula C19H28N2O and a molecular weight of 300.45 g/mol. Its IUPAC name is N-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-yl)heptanamide.

Molecular Properties

Compound NameN-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-yl)heptanamide
PubChem CID604511
Molecular FormulaC19H28N2O
Molecular Weight300.45 g/mol
Exact Mass300.22
IUPAC NameN-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-yl)heptanamide
SMILESCCCCCCC(=O)Nc1c2c(nc3c1CCC3)CCCC2
InChIInChI=1S/C19H28N2O/c1-2-3-4-5-13-18(22)21-19-14-9-6-7-11-16(14)20-17-12-8-10-15(17)19/h2-13H2,1H3,(H,20,21,22)
InChIKeyOJWOWYJQDMXMRZ-UHFFFAOYSA-N
XLogP4.36
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.45
LogP ≤ 54.36
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-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-yl)heptanamide?
The IUPAC name of N-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-yl)heptanamide (CID 604511) is N-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-yl)heptanamide.
What is the SMILES notation for N-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-yl)heptanamide?
The canonical SMILES for N-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-yl)heptanamide is CCCCCCC(=O)Nc1c2c(nc3c1CCC3)CCCC2.
What is the InChIKey of N-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-yl)heptanamide?
The InChIKey is OJWOWYJQDMXMRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O/c1-2-3-4-5-13-18(22)21-19-14-9-6-7-11-16(14)20-17-12-8-10-15(17)19/h2-13H2,1H3,(H,20,21,22).
What are the key properties of N-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-yl)heptanamide?
N-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-yl)heptanamide has a molecular weight of 300.45 g/mol, XLogP of 4.36, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-yl)heptanamide is sourced from PubChem (CID 604511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).