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

C16H22N2O — CID 3092842

IUPACN-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-yl)butanamide
SMILESCCCC(=O)Nc1c2c(nc3c1CCC3)CCCC2
InChIInChI=1S/C16H22N2O/c1-2-6-15(19)18-16-11-7-3-4-9-13(11)17-14-10-5-8-12(14)16/h2-10H2,1H3,(H,17,18,19)
InChIKeyXNTWTJPFGLIYBA-UHFFFAOYSA-N
MW258.36 g/mol
LogP3.19
Rot. Bonds3

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

N-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-yl)butanamide (PubChem CID 3092842) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is N-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-yl)butanamide.

Molecular Properties

Compound NameN-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-yl)butanamide
PubChem CID3092842
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC NameN-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-yl)butanamide
SMILESCCCC(=O)Nc1c2c(nc3c1CCC3)CCCC2
InChIInChI=1S/C16H22N2O/c1-2-6-15(19)18-16-11-7-3-4-9-13(11)17-14-10-5-8-12(14)16/h2-10H2,1H3,(H,17,18,19)
InChIKeyXNTWTJPFGLIYBA-UHFFFAOYSA-N
XLogP3.19
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Ipidacrine
CID 604519
Ipidacrine Hydrochloride Hydrate
CID 6917941
Amiridine
CID 6437859
N-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-yl)-2-methylpropanamide
CID 659201
N-(2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)hexanamide
CID 5127539
N-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-yl)pivalamide
CID 657647
N-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-yl)-2-methylbutanamide
CID 659322
N-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-yl)propanamide
CID 3238395
N-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-yl)-2-phenylacetamide
CID 750252
N~2~-benzyl-N~1~-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-yl)-N~2~-methylglycinamide oxalate
CID 750265
Acetamide, N-(2,3,5,6,7,8-hexahydro-1H-cyclopenta(b)quinolin-9-yl)-
CID 835494
1H-Cyclopenta(b)quinolin-9-amine, 2,3,5,6,7,8-hexahydro-N-methyl-
CID 3079312

Frequently Asked Questions

What is the IUPAC name of N-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-yl)butanamide?
The IUPAC name of N-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-yl)butanamide (CID 3092842) is N-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-yl)butanamide.
What is the SMILES notation for N-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-yl)butanamide?
The canonical SMILES for N-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-yl)butanamide is CCCC(=O)Nc1c2c(nc3c1CCC3)CCCC2.
What is the InChIKey of N-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-yl)butanamide?
The InChIKey is XNTWTJPFGLIYBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-2-6-15(19)18-16-11-7-3-4-9-13(11)17-14-10-5-8-12(14)16/h2-10H2,1H3,(H,17,18,19).
What are the key properties of N-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-yl)butanamide?
N-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-yl)butanamide has a molecular weight of 258.36 g/mol, XLogP of 3.19, 3 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)butanamide is sourced from PubChem (CID 3092842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).