2-(2,3-dihydro-1H-cyclopenta[b]quinolin-9-ylsulfanyl)-1-pyrrolidin-1-ylethanone

C18H20N2OS — CID 6622084

IUPAC2-(2,3-dihydro-1H-cyclopenta[b]quinolin-9-ylsulfanyl)-1-pyrrolidin-1-ylethanone
SMILESO=C(CSc1c2c(nc3ccccc13)CCC2)N1CCCC1
InChIInChI=1S/C18H20N2OS/c21-17(20-10-3-4-11-20)12-22-18-13-6-1-2-8-15(13)19-16-9-5-7-14(16)18/h1-2,6,8H,3-5,7,9-12H2
InChIKeyGGSIUOLGBXSBBQ-UHFFFAOYSA-N
MW312.44 g/mol
LogP3.44
Rot. Bonds3

About 2-(2,3-dihydro-1H-cyclopenta[b]quinolin-9-ylsulfanyl)-1-pyrrolidin-1-ylethanone

2-(2,3-dihydro-1H-cyclopenta[b]quinolin-9-ylsulfanyl)-1-pyrrolidin-1-ylethanone (PubChem CID 6622084) has the molecular formula C18H20N2OS and a molecular weight of 312.44 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-cyclopenta[b]quinolin-9-ylsulfanyl)-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-cyclopenta[b]quinolin-9-ylsulfanyl)-1-pyrrolidin-1-ylethanone
PubChem CID6622084
Molecular FormulaC18H20N2OS
Molecular Weight312.44 g/mol
Exact Mass312.13
IUPAC Name2-(2,3-dihydro-1H-cyclopenta[b]quinolin-9-ylsulfanyl)-1-pyrrolidin-1-ylethanone
SMILESO=C(CSc1c2c(nc3ccccc13)CCC2)N1CCCC1
InChIInChI=1S/C18H20N2OS/c21-17(20-10-3-4-11-20)12-22-18-13-6-1-2-8-15(13)19-16-9-5-7-14(16)18/h1-2,6,8H,3-5,7,9-12H2
InChIKeyGGSIUOLGBXSBBQ-UHFFFAOYSA-N
XLogP3.44
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(2,3-dihydro-1H-cyclopenta[b]quinolin-9-ylsulfanyl)-1-pyrrolidin-1-ylethanone with MolForge

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Launch Full Analysis

Related Compounds

[2-(azepan-1-yl)-2-oxoethyl] 7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline-11-carboxylate
CID 2700776
piperidin-1-yl(1,2,3,4-tetrahydroacridin-9-yl)methanone
CID 23499
N-butyl-2-(1,2,3,4-tetrahydroacridin-9-ylsulfanyl)acetamide
CID 5323070
N-(4-phenoxyphenyl)-2-(1,2,3,4-tetrahydroacridin-9-ylsulfanyl)acetamide
CID 5323049
2-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-3H-quinazolin-4-one
CID 135415502
3-(2-oxo-2-piperidin-1-ylethyl)-2-(2-phenylethylsulfanyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one
CID 7748849
N,N-dimethyl-2-(7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-ylsulfanyl)ethanamine
CID 29285
1,2,3,4-tetrahydroacridine-9-carboxylic acid;hydrate
CID 16667447
3-(2-methylphenyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylquinazolin-4-one
CID 2588505
3-benzyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylquinazolin-4-one
CID 1071926
2-[4-(2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbonyl)piperazin-1-yl]acetic acid
CID 21203408
[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl] 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate
CID 2585241

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-cyclopenta[b]quinolin-9-ylsulfanyl)-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-(2,3-dihydro-1H-cyclopenta[b]quinolin-9-ylsulfanyl)-1-pyrrolidin-1-ylethanone (CID 6622084) is 2-(2,3-dihydro-1H-cyclopenta[b]quinolin-9-ylsulfanyl)-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-(2,3-dihydro-1H-cyclopenta[b]quinolin-9-ylsulfanyl)-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-(2,3-dihydro-1H-cyclopenta[b]quinolin-9-ylsulfanyl)-1-pyrrolidin-1-ylethanone is O=C(CSc1c2c(nc3ccccc13)CCC2)N1CCCC1.
What is the InChIKey of 2-(2,3-dihydro-1H-cyclopenta[b]quinolin-9-ylsulfanyl)-1-pyrrolidin-1-ylethanone?
The InChIKey is GGSIUOLGBXSBBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2OS/c21-17(20-10-3-4-11-20)12-22-18-13-6-1-2-8-15(13)19-16-9-5-7-14(16)18/h1-2,6,8H,3-5,7,9-12H2.
What are the key properties of 2-(2,3-dihydro-1H-cyclopenta[b]quinolin-9-ylsulfanyl)-1-pyrrolidin-1-ylethanone?
2-(2,3-dihydro-1H-cyclopenta[b]quinolin-9-ylsulfanyl)-1-pyrrolidin-1-ylethanone has a molecular weight of 312.44 g/mol, XLogP of 3.44, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-cyclopenta[b]quinolin-9-ylsulfanyl)-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 6622084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).