N-(4-thiophen-2-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl)acetamide

C18H18N2OS — CID 17243444

IUPACN-(4-thiophen-2-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl)acetamide
SMILESCC(=O)Nc1ccc2c(c1)C1C=CCC1C(c1cccs1)N2
InChIInChI=1S/C18H18N2OS/c1-11(21)19-12-7-8-16-15(10-12)13-4-2-5-14(13)18(20-16)17-6-3-9-22-17/h2-4,6-10,13-14,18,20H,5H2,1H3,(H,19,21)
InChIKeyNRKWEGIMWCTUHV-UHFFFAOYSA-N
MW310.42 g/mol
LogP4.53
Rot. Bonds2

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

N-(4-thiophen-2-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl)acetamide (PubChem CID 17243444) has the molecular formula C18H18N2OS and a molecular weight of 310.42 g/mol. Its IUPAC name is N-(4-thiophen-2-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl)acetamide.

Molecular Properties

Compound NameN-(4-thiophen-2-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl)acetamide
PubChem CID17243444
Molecular FormulaC18H18N2OS
Molecular Weight310.42 g/mol
Exact Mass310.11
IUPAC NameN-(4-thiophen-2-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl)acetamide
SMILESCC(=O)Nc1ccc2c(c1)C1C=CCC1C(c1cccs1)N2
InChIInChI=1S/C18H18N2OS/c1-11(21)19-12-7-8-16-15(10-12)13-4-2-5-14(13)18(20-16)17-6-3-9-22-17/h2-4,6-10,13-14,18,20H,5H2,1H3,(H,19,21)
InChIKeyNRKWEGIMWCTUHV-UHFFFAOYSA-N
XLogP4.53
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(4-thiophen-2-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl)acetamide with MolForge

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Related Compounds

8-methyl-4-thiophen-2-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
CID 17243490
4-thiophen-2-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-ol
CID 17243449
N-[(3aR,4R,9bR)-4-(2,3-dichlorophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]acetamide
CID 6963432
N-[(3aS,4S,9bR)-4-(2,4-dichlorophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]acetamide
CID 1115707
(3aR,4R,9bR)-8-acetamido-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylate
CID 7148473
(3aR,4R,9bS)-8-acetamido-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylic acid
CID 7148476
propyl 4-thiophen-2-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxylate
CID 17243483
N-[(3aS,4R,9bR)-4-(3-nitrophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]acetamide
CID 40521538
N-(3,4-dimethylphenyl)-4-thiophen-2-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxamide
CID 17243545
8-pyrrolidin-1-ylsulfonyl-4-thiophen-2-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
CID 17243498
N-[4-(5-methylthiophen-2-yl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]butanamide
CID 17237678
2-methyl-N-[4-(4-propan-2-ylphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]propanamide
CID 17239154

Frequently Asked Questions

What is the IUPAC name of N-(4-thiophen-2-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl)acetamide?
The IUPAC name of N-(4-thiophen-2-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl)acetamide (CID 17243444) is N-(4-thiophen-2-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl)acetamide.
What is the SMILES notation for N-(4-thiophen-2-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl)acetamide?
The canonical SMILES for N-(4-thiophen-2-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl)acetamide is CC(=O)Nc1ccc2c(c1)C1C=CCC1C(c1cccs1)N2.
What is the InChIKey of N-(4-thiophen-2-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl)acetamide?
The InChIKey is NRKWEGIMWCTUHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2OS/c1-11(21)19-12-7-8-16-15(10-12)13-4-2-5-14(13)18(20-16)17-6-3-9-22-17/h2-4,6-10,13-14,18,20H,5H2,1H3,(H,19,21).
What are the key properties of N-(4-thiophen-2-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl)acetamide?
N-(4-thiophen-2-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl)acetamide has a molecular weight of 310.42 g/mol, XLogP of 4.53, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-thiophen-2-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl)acetamide is sourced from PubChem (CID 17243444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).