1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-quinolin-4-ylethanone

C18H15NOS — CID 114979759

IUPAC1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-quinolin-4-ylethanone
SMILESO=C(Cc1ccnc2ccccc12)c1cc2c(s1)CCC2
InChIInChI=1S/C18H15NOS/c20-16(18-11-13-4-3-7-17(13)21-18)10-12-8-9-19-15-6-2-1-5-14(12)15/h1-2,5-6,8-9,11H,3-4,7,10H2
InChIKeyAQNRQSOGYJULLI-UHFFFAOYSA-N
MW293.39 g/mol
LogP4.21
Rot. Bonds3

About 1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-quinolin-4-ylethanone

1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-quinolin-4-ylethanone (PubChem CID 114979759) has the molecular formula C18H15NOS and a molecular weight of 293.39 g/mol. Its IUPAC name is 1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-quinolin-4-ylethanone.

Molecular Properties

Compound Name1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-quinolin-4-ylethanone
PubChem CID114979759
Molecular FormulaC18H15NOS
Molecular Weight293.39 g/mol
Exact Mass293.09
IUPAC Name1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-quinolin-4-ylethanone
SMILESO=C(Cc1ccnc2ccccc12)c1cc2c(s1)CCC2
InChIInChI=1S/C18H15NOS/c20-16(18-11-13-4-3-7-17(13)21-18)10-12-8-9-19-15-6-2-1-5-14(12)15/h1-2,5-6,8-9,11H,3-4,7,10H2
InChIKeyAQNRQSOGYJULLI-UHFFFAOYSA-N
XLogP4.21
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-quinolin-4-ylethanone with MolForge

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Related Compounds

2-(1,3-benzoxazol-2-yl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanone
CID 28934887
1-(5-methylthiophen-2-yl)-2-quinolin-4-ylethanone
CID 114979736
1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(5-fluoro-2-methylphenyl)ethanone
CID 105376758
2-(4-fluorophenyl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanone
CID 61079517
2-(2,5-dimethylphenyl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanone
CID 63527004
1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(3-methoxyphenyl)ethanone
CID 61077516
1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(1-propylimidazol-2-yl)ethanone
CID 115784807
2-amino-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanone
CID 10657175
2-(3,5-dimethylphenyl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanone
CID 114963218
1-(4-iodophenyl)-2-quinolin-4-ylethanone
CID 114979738
1-[2-(aminomethyl)-4-pyridinyl]-2-quinolin-4-ylethanone
CID 116601824
1-(5-methylpyrazin-2-yl)-2-quinolin-4-ylethanone
CID 105109033

Frequently Asked Questions

What is the IUPAC name of 1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-quinolin-4-ylethanone?
The IUPAC name of 1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-quinolin-4-ylethanone (CID 114979759) is 1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-quinolin-4-ylethanone.
What is the SMILES notation for 1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-quinolin-4-ylethanone?
The canonical SMILES for 1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-quinolin-4-ylethanone is O=C(Cc1ccnc2ccccc12)c1cc2c(s1)CCC2.
What is the InChIKey of 1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-quinolin-4-ylethanone?
The InChIKey is AQNRQSOGYJULLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NOS/c20-16(18-11-13-4-3-7-17(13)21-18)10-12-8-9-19-15-6-2-1-5-14(12)15/h1-2,5-6,8-9,11H,3-4,7,10H2.
What are the key properties of 1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-quinolin-4-ylethanone?
1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-quinolin-4-ylethanone has a molecular weight of 293.39 g/mol, XLogP of 4.21, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-quinolin-4-ylethanone is sourced from PubChem (CID 114979759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).