6-(2,5-dichlorothiophene-3-carbonyl)-1-methyl-3,4-dihydroquinolin-2-one

C15H11Cl2NO2S — CID 107960022

IUPAC6-(2,5-dichlorothiophene-3-carbonyl)-1-methyl-3,4-dihydroquinolin-2-one
SMILESCN1C(=O)CCc2cc(C(=O)c3cc(Cl)sc3Cl)ccc21
InChIInChI=1S/C15H11Cl2NO2S/c1-18-11-4-2-9(6-8(11)3-5-13(18)19)14(20)10-7-12(16)21-15(10)17/h2,4,6-7H,3,5H2,1H3
InChIKeyBCKOFVPJYOINRO-UHFFFAOYSA-N
MW340.23 g/mol
LogP4.19
Rot. Bonds2

About 6-(2,5-dichlorothiophene-3-carbonyl)-1-methyl-3,4-dihydroquinolin-2-one

6-(2,5-dichlorothiophene-3-carbonyl)-1-methyl-3,4-dihydroquinolin-2-one (PubChem CID 107960022) has the molecular formula C15H11Cl2NO2S and a molecular weight of 340.23 g/mol. Its IUPAC name is 6-(2,5-dichlorothiophene-3-carbonyl)-1-methyl-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name6-(2,5-dichlorothiophene-3-carbonyl)-1-methyl-3,4-dihydroquinolin-2-one
PubChem CID107960022
Molecular FormulaC15H11Cl2NO2S
Molecular Weight340.23 g/mol
Exact Mass338.99
IUPAC Name6-(2,5-dichlorothiophene-3-carbonyl)-1-methyl-3,4-dihydroquinolin-2-one
SMILESCN1C(=O)CCc2cc(C(=O)c3cc(Cl)sc3Cl)ccc21
InChIInChI=1S/C15H11Cl2NO2S/c1-18-11-4-2-9(6-8(11)3-5-13(18)19)14(20)10-7-12(16)21-15(10)17/h2,4,6-7H,3,5H2,1H3
InChIKeyBCKOFVPJYOINRO-UHFFFAOYSA-N
XLogP4.19
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.23
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(2,5-dichlorothiophene-3-carbonyl)-1-methyl-3,4-dihydroquinolin-2-one?
The IUPAC name of 6-(2,5-dichlorothiophene-3-carbonyl)-1-methyl-3,4-dihydroquinolin-2-one (CID 107960022) is 6-(2,5-dichlorothiophene-3-carbonyl)-1-methyl-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 6-(2,5-dichlorothiophene-3-carbonyl)-1-methyl-3,4-dihydroquinolin-2-one?
The canonical SMILES for 6-(2,5-dichlorothiophene-3-carbonyl)-1-methyl-3,4-dihydroquinolin-2-one is CN1C(=O)CCc2cc(C(=O)c3cc(Cl)sc3Cl)ccc21.
What is the InChIKey of 6-(2,5-dichlorothiophene-3-carbonyl)-1-methyl-3,4-dihydroquinolin-2-one?
The InChIKey is BCKOFVPJYOINRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2NO2S/c1-18-11-4-2-9(6-8(11)3-5-13(18)19)14(20)10-7-12(16)21-15(10)17/h2,4,6-7H,3,5H2,1H3.
What are the key properties of 6-(2,5-dichlorothiophene-3-carbonyl)-1-methyl-3,4-dihydroquinolin-2-one?
6-(2,5-dichlorothiophene-3-carbonyl)-1-methyl-3,4-dihydroquinolin-2-one has a molecular weight of 340.23 g/mol, XLogP of 4.19, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,5-dichlorothiophene-3-carbonyl)-1-methyl-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 107960022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).