6,7-dimethoxy-4-thiophen-2-yl-3,4-dihydro-1H-quinolin-2-one

C15H15NO3S — CID 651105

IUPAC6,7-dimethoxy-4-thiophen-2-yl-3,4-dihydro-1H-quinolin-2-one
SMILESCOc1cc2c(cc1OC)C(c1cccs1)CC(=O)N2
InChIInChI=1S/C15H15NO3S/c1-18-12-6-9-10(14-4-3-5-20-14)7-15(17)16-11(9)8-13(12)19-2/h3-6,8,10H,7H2,1-2H3,(H,16,17)
InChIKeyWJTOHGOOLPRBHX-UHFFFAOYSA-N
MW289.36 g/mol
LogP3.24
Rot. Bonds3

About 6,7-dimethoxy-4-thiophen-2-yl-3,4-dihydro-1H-quinolin-2-one

6,7-dimethoxy-4-thiophen-2-yl-3,4-dihydro-1H-quinolin-2-one (PubChem CID 651105) has the molecular formula C15H15NO3S and a molecular weight of 289.36 g/mol. Its IUPAC name is 6,7-dimethoxy-4-thiophen-2-yl-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6,7-dimethoxy-4-thiophen-2-yl-3,4-dihydro-1H-quinolin-2-one
PubChem CID651105
Molecular FormulaC15H15NO3S
Molecular Weight289.36 g/mol
Exact Mass289.08
IUPAC Name6,7-dimethoxy-4-thiophen-2-yl-3,4-dihydro-1H-quinolin-2-one
SMILESCOc1cc2c(cc1OC)C(c1cccs1)CC(=O)N2
InChIInChI=1S/C15H15NO3S/c1-18-12-6-9-10(14-4-3-5-20-14)7-15(17)16-11(9)8-13(12)19-2/h3-6,8,10H,7H2,1-2H3,(H,16,17)
InChIKeyWJTOHGOOLPRBHX-UHFFFAOYSA-N
XLogP3.24
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-4-thiophen-2-yl-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6,7-dimethoxy-4-thiophen-2-yl-3,4-dihydro-1H-quinolin-2-one (CID 651105) is 6,7-dimethoxy-4-thiophen-2-yl-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6,7-dimethoxy-4-thiophen-2-yl-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6,7-dimethoxy-4-thiophen-2-yl-3,4-dihydro-1H-quinolin-2-one is COc1cc2c(cc1OC)C(c1cccs1)CC(=O)N2.
What is the InChIKey of 6,7-dimethoxy-4-thiophen-2-yl-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is WJTOHGOOLPRBHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3S/c1-18-12-6-9-10(14-4-3-5-20-14)7-15(17)16-11(9)8-13(12)19-2/h3-6,8,10H,7H2,1-2H3,(H,16,17).
What are the key properties of 6,7-dimethoxy-4-thiophen-2-yl-3,4-dihydro-1H-quinolin-2-one?
6,7-dimethoxy-4-thiophen-2-yl-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 289.36 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-4-thiophen-2-yl-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 651105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).