N-(2-thiophen-2-ylpropyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide

C20H20N2OS — CID 166211166

IUPACN-(2-thiophen-2-ylpropyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
SMILESCC(CNC(=O)c1c2c(nc3ccccc13)CCC2)c1cccs1
InChIInChI=1S/C20H20N2OS/c1-13(18-10-5-11-24-18)12-21-20(23)19-14-6-2-3-8-16(14)22-17-9-4-7-15(17)19/h2-3,5-6,8,10-11,13H,4,7,9,12H2,1H3,(H,21,23)
InChIKeyVQYKZAWLWTUMCT-UHFFFAOYSA-N
MW336.46 g/mol
LogP4.32
Rot. Bonds4

About N-(2-thiophen-2-ylpropyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide

N-(2-thiophen-2-ylpropyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide (PubChem CID 166211166) has the molecular formula C20H20N2OS and a molecular weight of 336.46 g/mol. Its IUPAC name is N-(2-thiophen-2-ylpropyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide.

Molecular Properties

Compound NameN-(2-thiophen-2-ylpropyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
PubChem CID166211166
Molecular FormulaC20H20N2OS
Molecular Weight336.46 g/mol
Exact Mass336.13
IUPAC NameN-(2-thiophen-2-ylpropyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
SMILESCC(CNC(=O)c1c2c(nc3ccccc13)CCC2)c1cccs1
InChIInChI=1S/C20H20N2OS/c1-13(18-10-5-11-24-18)12-21-20(23)19-14-6-2-3-8-16(14)22-17-9-4-7-15(17)19/h2-3,5-6,8,10-11,13H,4,7,9,12H2,1H3,(H,21,23)
InChIKeyVQYKZAWLWTUMCT-UHFFFAOYSA-N
XLogP4.32
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-(2-Methylindol-3-yl)ethyl)-2-thienylcarboxamide
CID 588963
5-(2-methyl-1h-indol-1-yl)-N-propylthiophene-2-carboxamide
CID 44481106
6,11-Dihydro-5-thia-11-aza-benzo[alpha]fluorene-6-carboxylic acid diethylamide
CID 57852692
N-(3-methylbutyl)-2-thien-2-ylquinoline-4-carboxamide
CID 4227699
N-[2-(diethylamino)ethyl]-2-thiophen-2-ylquinoline-4-carboxamide
CID 2052939
2-(Thiophen-2-yl)quinoline-4-carbohydrazide
CID 5102481
N,N-dihexyl-2-oxo-2-(2-thiophen-3-yl-1H-indol-3-yl)acetamide
CID 122183512
N-(3-cyanothiophen-2-yl)-2-methylquinoline-4-carboxamide
CID 2525578
N-[2-(1H-indol-3-yl)ethyl]-5-methylthiophene-2-carboxamide
CID 2571989
N-(1,1-dioxothiolan-3-yl)-2-phenylquinoline-4-carboxamide
CID 4589156
2-methyl-N-[(E)-1-thiophen-2-ylethylideneamino]quinoline-4-carboxamide
CID 9654405
N-[2-(1H-indol-3-yl)ethyl]-3-methylthiophene-2-carboxamide
CID 17453466

Frequently Asked Questions

What is the IUPAC name of N-(2-thiophen-2-ylpropyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide?
The IUPAC name of N-(2-thiophen-2-ylpropyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide (CID 166211166) is N-(2-thiophen-2-ylpropyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide.
What is the SMILES notation for N-(2-thiophen-2-ylpropyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide?
The canonical SMILES for N-(2-thiophen-2-ylpropyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide is CC(CNC(=O)c1c2c(nc3ccccc13)CCC2)c1cccs1.
What is the InChIKey of N-(2-thiophen-2-ylpropyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide?
The InChIKey is VQYKZAWLWTUMCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2OS/c1-13(18-10-5-11-24-18)12-21-20(23)19-14-6-2-3-8-16(14)22-17-9-4-7-15(17)19/h2-3,5-6,8,10-11,13H,4,7,9,12H2,1H3,(H,21,23).
What are the key properties of N-(2-thiophen-2-ylpropyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide?
N-(2-thiophen-2-ylpropyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide has a molecular weight of 336.46 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-thiophen-2-ylpropyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide is sourced from PubChem (CID 166211166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).