1-(thiophene-2-carbonyl)-2,3-dihydroquinolin-4-one

C14H11NO2S — CID 683443

IUPAC1-(thiophene-2-carbonyl)-2,3-dihydroquinolin-4-one
SMILESO=C1CCN(C(=O)c2cccs2)c2ccccc21
InChIInChI=1S/C14H11NO2S/c16-12-7-8-15(11-5-2-1-4-10(11)12)14(17)13-6-3-9-18-13/h1-6,9H,7-8H2
InChIKeyGIGGJMZITBFZDE-UHFFFAOYSA-N
MW257.31 g/mol
LogP2.98
Rot. Bonds1

About 1-(thiophene-2-carbonyl)-2,3-dihydroquinolin-4-one

1-(thiophene-2-carbonyl)-2,3-dihydroquinolin-4-one (PubChem CID 683443) has the molecular formula C14H11NO2S and a molecular weight of 257.31 g/mol. Its IUPAC name is 1-(thiophene-2-carbonyl)-2,3-dihydroquinolin-4-one.

Molecular Properties

Compound Name1-(thiophene-2-carbonyl)-2,3-dihydroquinolin-4-one
PubChem CID683443
Molecular FormulaC14H11NO2S
Molecular Weight257.31 g/mol
Exact Mass257.05
IUPAC Name1-(thiophene-2-carbonyl)-2,3-dihydroquinolin-4-one
SMILESO=C1CCN(C(=O)c2cccs2)c2ccccc21
InChIInChI=1S/C14H11NO2S/c16-12-7-8-15(11-5-2-1-4-10(11)12)14(17)13-6-3-9-18-13/h1-6,9H,7-8H2
InChIKeyGIGGJMZITBFZDE-UHFFFAOYSA-N
XLogP2.98
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(thiophene-2-carbonyl)-2,3-dihydroquinolin-4-one?
The IUPAC name of 1-(thiophene-2-carbonyl)-2,3-dihydroquinolin-4-one (CID 683443) is 1-(thiophene-2-carbonyl)-2,3-dihydroquinolin-4-one.
What is the SMILES notation for 1-(thiophene-2-carbonyl)-2,3-dihydroquinolin-4-one?
The canonical SMILES for 1-(thiophene-2-carbonyl)-2,3-dihydroquinolin-4-one is O=C1CCN(C(=O)c2cccs2)c2ccccc21.
What is the InChIKey of 1-(thiophene-2-carbonyl)-2,3-dihydroquinolin-4-one?
The InChIKey is GIGGJMZITBFZDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO2S/c16-12-7-8-15(11-5-2-1-4-10(11)12)14(17)13-6-3-9-18-13/h1-6,9H,7-8H2.
What are the key properties of 1-(thiophene-2-carbonyl)-2,3-dihydroquinolin-4-one?
1-(thiophene-2-carbonyl)-2,3-dihydroquinolin-4-one has a molecular weight of 257.31 g/mol, XLogP of 2.98, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(thiophene-2-carbonyl)-2,3-dihydroquinolin-4-one is sourced from PubChem (CID 683443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).