8-methoxy-1-thiophen-2-ylsulfonyl-2,3-dihydroquinolin-4-one

C14H13NO4S2 — CID 110635402

IUPAC8-methoxy-1-thiophen-2-ylsulfonyl-2,3-dihydroquinolin-4-one
SMILESCOc1cccc2c1N(S(=O)(=O)c1cccs1)CCC2=O
InChIInChI=1S/C14H13NO4S2/c1-19-12-5-2-4-10-11(16)7-8-15(14(10)12)21(17,18)13-6-3-9-20-13/h2-6,9H,7-8H2,1H3
InChIKeyXIPJYHNKXRMXMW-UHFFFAOYSA-N
MW323.39 g/mol
LogP2.54
Rot. Bonds3

About 8-methoxy-1-thiophen-2-ylsulfonyl-2,3-dihydroquinolin-4-one

8-methoxy-1-thiophen-2-ylsulfonyl-2,3-dihydroquinolin-4-one (PubChem CID 110635402) has the molecular formula C14H13NO4S2 and a molecular weight of 323.39 g/mol. Its IUPAC name is 8-methoxy-1-thiophen-2-ylsulfonyl-2,3-dihydroquinolin-4-one.

Molecular Properties

Compound Name8-methoxy-1-thiophen-2-ylsulfonyl-2,3-dihydroquinolin-4-one
PubChem CID110635402
Molecular FormulaC14H13NO4S2
Molecular Weight323.39 g/mol
Exact Mass323.03
IUPAC Name8-methoxy-1-thiophen-2-ylsulfonyl-2,3-dihydroquinolin-4-one
SMILESCOc1cccc2c1N(S(=O)(=O)c1cccs1)CCC2=O
InChIInChI=1S/C14H13NO4S2/c1-19-12-5-2-4-10-11(16)7-8-15(14(10)12)21(17,18)13-6-3-9-20-13/h2-6,9H,7-8H2,1H3
InChIKeyXIPJYHNKXRMXMW-UHFFFAOYSA-N
XLogP2.54
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

8-methoxy-1-methylsulfonyl-2,3-dihydroquinolin-4-one
CID 110635377
1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-8-methoxy-2,3-dihydroquinolin-4-one
CID 110635399
7-methoxy-1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-4-ol
CID 110637194
1-(adamantane-1-carbonyl)-8-methoxy-2,3-dihydroquinolin-4-one
CID 110635370
8-methoxy-1-(morpholine-4-carbonyl)-2,3-dihydroquinolin-4-one
CID 110406848
1-thiophen-2-ylsulfonylpiperidine
CID 765823
(3S)-3-(2-methoxyphenyl)-1-thiophen-2-ylsulfonylpyrrolidine
CID 95632946
1-(4-chlorobenzoyl)-8-methoxy-2,3-dihydroquinolin-4-one
CID 110635358
1-(3,4-difluorobenzoyl)-8-methoxy-2,3-dihydroquinolin-4-one
CID 110406834
1-(3-chlorobenzoyl)-8-methoxy-2,3-dihydroquinolin-4-one
CID 110635357
6-methoxy-1-(5-methylthiophen-2-yl)sulfonyl-2,3-dihydroquinolin-4-one
CID 110635279
8-methoxy-1-(4-propan-2-ylbenzoyl)-2,3-dihydroquinolin-4-one
CID 110635326

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-1-thiophen-2-ylsulfonyl-2,3-dihydroquinolin-4-one?
The IUPAC name of 8-methoxy-1-thiophen-2-ylsulfonyl-2,3-dihydroquinolin-4-one (CID 110635402) is 8-methoxy-1-thiophen-2-ylsulfonyl-2,3-dihydroquinolin-4-one.
What is the SMILES notation for 8-methoxy-1-thiophen-2-ylsulfonyl-2,3-dihydroquinolin-4-one?
The canonical SMILES for 8-methoxy-1-thiophen-2-ylsulfonyl-2,3-dihydroquinolin-4-one is COc1cccc2c1N(S(=O)(=O)c1cccs1)CCC2=O.
What is the InChIKey of 8-methoxy-1-thiophen-2-ylsulfonyl-2,3-dihydroquinolin-4-one?
The InChIKey is XIPJYHNKXRMXMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO4S2/c1-19-12-5-2-4-10-11(16)7-8-15(14(10)12)21(17,18)13-6-3-9-20-13/h2-6,9H,7-8H2,1H3.
What are the key properties of 8-methoxy-1-thiophen-2-ylsulfonyl-2,3-dihydroquinolin-4-one?
8-methoxy-1-thiophen-2-ylsulfonyl-2,3-dihydroquinolin-4-one has a molecular weight of 323.39 g/mol, XLogP of 2.54, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-1-thiophen-2-ylsulfonyl-2,3-dihydroquinolin-4-one is sourced from PubChem (CID 110635402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).