6,9-dimethyl-3,4-dihydro-1H-thiopyrano[4,3-b]quinoline-10-carboxylic acid

C15H15NO2S — CID 54948814

IUPAC6,9-dimethyl-3,4-dihydro-1H-thiopyrano[4,3-b]quinoline-10-carboxylic acid
SMILESCc1ccc(C)c2c(C(=O)O)c3c(nc12)CCSC3
InChIInChI=1S/C15H15NO2S/c1-8-3-4-9(2)14-12(8)13(15(17)18)10-7-19-6-5-11(10)16-14/h3-4H,5-7H2,1-2H3,(H,17,18)
InChIKeyUJKGBTGKTCOJBJ-UHFFFAOYSA-N
MW273.36 g/mol
LogP3.34
Rot. Bonds1

About 6,9-dimethyl-3,4-dihydro-1H-thiopyrano[4,3-b]quinoline-10-carboxylic acid

6,9-dimethyl-3,4-dihydro-1H-thiopyrano[4,3-b]quinoline-10-carboxylic acid (PubChem CID 54948814) has the molecular formula C15H15NO2S and a molecular weight of 273.36 g/mol. Its IUPAC name is 6,9-dimethyl-3,4-dihydro-1H-thiopyrano[4,3-b]quinoline-10-carboxylic acid.

Molecular Properties

Compound Name6,9-dimethyl-3,4-dihydro-1H-thiopyrano[4,3-b]quinoline-10-carboxylic acid
PubChem CID54948814
Molecular FormulaC15H15NO2S
Molecular Weight273.36 g/mol
Exact Mass273.08
IUPAC Name6,9-dimethyl-3,4-dihydro-1H-thiopyrano[4,3-b]quinoline-10-carboxylic acid
SMILESCc1ccc(C)c2c(C(=O)O)c3c(nc12)CCSC3
InChIInChI=1S/C15H15NO2S/c1-8-3-4-9(2)14-12(8)13(15(17)18)10-7-19-6-5-11(10)16-14/h3-4H,5-7H2,1-2H3,(H,17,18)
InChIKeyUJKGBTGKTCOJBJ-UHFFFAOYSA-N
XLogP3.34
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6,9-dimethyl-3,4-dihydro-1H-thiopyrano[4,3-b]quinoline-10-carboxylic acid?
The IUPAC name of 6,9-dimethyl-3,4-dihydro-1H-thiopyrano[4,3-b]quinoline-10-carboxylic acid (CID 54948814) is 6,9-dimethyl-3,4-dihydro-1H-thiopyrano[4,3-b]quinoline-10-carboxylic acid.
What is the SMILES notation for 6,9-dimethyl-3,4-dihydro-1H-thiopyrano[4,3-b]quinoline-10-carboxylic acid?
The canonical SMILES for 6,9-dimethyl-3,4-dihydro-1H-thiopyrano[4,3-b]quinoline-10-carboxylic acid is Cc1ccc(C)c2c(C(=O)O)c3c(nc12)CCSC3.
What is the InChIKey of 6,9-dimethyl-3,4-dihydro-1H-thiopyrano[4,3-b]quinoline-10-carboxylic acid?
The InChIKey is UJKGBTGKTCOJBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO2S/c1-8-3-4-9(2)14-12(8)13(15(17)18)10-7-19-6-5-11(10)16-14/h3-4H,5-7H2,1-2H3,(H,17,18).
What are the key properties of 6,9-dimethyl-3,4-dihydro-1H-thiopyrano[4,3-b]quinoline-10-carboxylic acid?
6,9-dimethyl-3,4-dihydro-1H-thiopyrano[4,3-b]quinoline-10-carboxylic acid has a molecular weight of 273.36 g/mol, XLogP of 3.34, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,9-dimethyl-3,4-dihydro-1H-thiopyrano[4,3-b]quinoline-10-carboxylic acid is sourced from PubChem (CID 54948814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).