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

C16H15NO2S — CID 79975950

IUPAC1-(3-ethylthiophene-2-carbonyl)-2,3-dihydroquinolin-4-one
SMILESCCc1ccsc1C(=O)N1CCC(=O)c2ccccc21
InChIInChI=1S/C16H15NO2S/c1-2-11-8-10-20-15(11)16(19)17-9-7-14(18)12-5-3-4-6-13(12)17/h3-6,8,10H,2,7,9H2,1H3
InChIKeyKJWRZCLWQGVDGB-UHFFFAOYSA-N
MW285.37 g/mol
LogP3.54
Rot. Bonds2

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

1-(3-ethylthiophene-2-carbonyl)-2,3-dihydroquinolin-4-one (PubChem CID 79975950) has the molecular formula C16H15NO2S and a molecular weight of 285.37 g/mol. Its IUPAC name is 1-(3-ethylthiophene-2-carbonyl)-2,3-dihydroquinolin-4-one.

Molecular Properties

Compound Name1-(3-ethylthiophene-2-carbonyl)-2,3-dihydroquinolin-4-one
PubChem CID79975950
Molecular FormulaC16H15NO2S
Molecular Weight285.37 g/mol
Exact Mass285.08
IUPAC Name1-(3-ethylthiophene-2-carbonyl)-2,3-dihydroquinolin-4-one
SMILESCCc1ccsc1C(=O)N1CCC(=O)c2ccccc21
InChIInChI=1S/C16H15NO2S/c1-2-11-8-10-20-15(11)16(19)17-9-7-14(18)12-5-3-4-6-13(12)17/h3-6,8,10H,2,7,9H2,1H3
InChIKeyKJWRZCLWQGVDGB-UHFFFAOYSA-N
XLogP3.54
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylthiophene-2-carbonyl)-2,3-dihydroquinolin-4-one?
The IUPAC name of 1-(3-ethylthiophene-2-carbonyl)-2,3-dihydroquinolin-4-one (CID 79975950) is 1-(3-ethylthiophene-2-carbonyl)-2,3-dihydroquinolin-4-one.
What is the SMILES notation for 1-(3-ethylthiophene-2-carbonyl)-2,3-dihydroquinolin-4-one?
The canonical SMILES for 1-(3-ethylthiophene-2-carbonyl)-2,3-dihydroquinolin-4-one is CCc1ccsc1C(=O)N1CCC(=O)c2ccccc21.
What is the InChIKey of 1-(3-ethylthiophene-2-carbonyl)-2,3-dihydroquinolin-4-one?
The InChIKey is KJWRZCLWQGVDGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO2S/c1-2-11-8-10-20-15(11)16(19)17-9-7-14(18)12-5-3-4-6-13(12)17/h3-6,8,10H,2,7,9H2,1H3.
What are the key properties of 1-(3-ethylthiophene-2-carbonyl)-2,3-dihydroquinolin-4-one?
1-(3-ethylthiophene-2-carbonyl)-2,3-dihydroquinolin-4-one has a molecular weight of 285.37 g/mol, XLogP of 3.54, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylthiophene-2-carbonyl)-2,3-dihydroquinolin-4-one is sourced from PubChem (CID 79975950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).