4-thiophen-2-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-ol

C16H15NOS — CID 17243449

IUPAC4-thiophen-2-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-ol
SMILESOc1ccc2c(c1)C1C=CCC1C(c1cccs1)N2
InChIInChI=1S/C16H15NOS/c18-10-6-7-14-13(9-10)11-3-1-4-12(11)16(17-14)15-5-2-8-19-15/h1-3,5-9,11-12,16-18H,4H2
InChIKeyXQFRSAYKWOEWPP-UHFFFAOYSA-N
MW269.37 g/mol
LogP4.28
Rot. Bonds1

About 4-thiophen-2-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-ol

4-thiophen-2-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-ol (PubChem CID 17243449) has the molecular formula C16H15NOS and a molecular weight of 269.37 g/mol. Its IUPAC name is 4-thiophen-2-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-ol.

Molecular Properties

Compound Name4-thiophen-2-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-ol
PubChem CID17243449
Molecular FormulaC16H15NOS
Molecular Weight269.37 g/mol
Exact Mass269.09
IUPAC Name4-thiophen-2-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-ol
SMILESOc1ccc2c(c1)C1C=CCC1C(c1cccs1)N2
InChIInChI=1S/C16H15NOS/c18-10-6-7-14-13(9-10)11-3-1-4-12(11)16(17-14)15-5-2-8-19-15/h1-3,5-9,11-12,16-18H,4H2
InChIKeyXQFRSAYKWOEWPP-UHFFFAOYSA-N
XLogP4.28
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_alk_ene(51)', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

8-methyl-4-thiophen-2-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
CID 17243490
N-(4-thiophen-2-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl)acetamide
CID 17243444
8-pyrrolidin-1-ylsulfonyl-4-thiophen-2-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
CID 17243498
propyl 4-thiophen-2-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxylate
CID 17243483
4-(4-ethoxyphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-ol
CID 17242150
4-(2,4-dihydroxyphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carbonitrile
CID 17236721
2-(8-chloro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl)phenol
CID 17240577
4-(8-phenoxy-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl)phenol
CID 17236421
4-(8-nitro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl)benzene-1,3-diol
CID 17236745
4-[(3aS,4R,9bS)-8-(trifluoromethoxy)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl]-3-chlorophenol
CID 124674077
4-phenyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxylic acid
CID 2857906
N-(3,4-dimethylphenyl)-4-thiophen-2-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxamide
CID 17243545

Frequently Asked Questions

What is the IUPAC name of 4-thiophen-2-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-ol?
The IUPAC name of 4-thiophen-2-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-ol (CID 17243449) is 4-thiophen-2-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-ol.
What is the SMILES notation for 4-thiophen-2-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-ol?
The canonical SMILES for 4-thiophen-2-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-ol is Oc1ccc2c(c1)C1C=CCC1C(c1cccs1)N2.
What is the InChIKey of 4-thiophen-2-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-ol?
The InChIKey is XQFRSAYKWOEWPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NOS/c18-10-6-7-14-13(9-10)11-3-1-4-12(11)16(17-14)15-5-2-8-19-15/h1-3,5-9,11-12,16-18H,4H2.
What are the key properties of 4-thiophen-2-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-ol?
4-thiophen-2-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-ol has a molecular weight of 269.37 g/mol, XLogP of 4.28, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-thiophen-2-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-ol is sourced from PubChem (CID 17243449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).