6-propan-2-yl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxylic acid

C15H17NO2S — CID 143292511

IUPAC6-propan-2-yl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxylic acid
SMILESCC(C)C1CCc2nc3sc(C(=O)O)cc3cc2C1
InChIInChI=1S/C15H17NO2S/c1-8(2)9-3-4-12-10(5-9)6-11-7-13(15(17)18)19-14(11)16-12/h6-9H,3-5H2,1-2H3,(H,17,18)
InChIKeyRTDKLUWQOMGYGW-UHFFFAOYSA-N
MW275.37 g/mol
LogP3.76
Rot. Bonds2

About 6-propan-2-yl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxylic acid

6-propan-2-yl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxylic acid (PubChem CID 143292511) has the molecular formula C15H17NO2S and a molecular weight of 275.37 g/mol. Its IUPAC name is 6-propan-2-yl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxylic acid.

Molecular Properties

Compound Name6-propan-2-yl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxylic acid
PubChem CID143292511
Molecular FormulaC15H17NO2S
Molecular Weight275.37 g/mol
Exact Mass275.10
IUPAC Name6-propan-2-yl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxylic acid
SMILESCC(C)C1CCc2nc3sc(C(=O)O)cc3cc2C1
InChIInChI=1S/C15H17NO2S/c1-8(2)9-3-4-12-10(5-9)6-11-7-13(15(17)18)19-14(11)16-12/h6-9H,3-5H2,1-2H3,(H,17,18)
InChIKeyRTDKLUWQOMGYGW-UHFFFAOYSA-N
XLogP3.76
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-propan-2-yl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxylic acid?
The IUPAC name of 6-propan-2-yl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxylic acid (CID 143292511) is 6-propan-2-yl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxylic acid.
What is the SMILES notation for 6-propan-2-yl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxylic acid?
The canonical SMILES for 6-propan-2-yl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxylic acid is CC(C)C1CCc2nc3sc(C(=O)O)cc3cc2C1.
What is the InChIKey of 6-propan-2-yl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxylic acid?
The InChIKey is RTDKLUWQOMGYGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2S/c1-8(2)9-3-4-12-10(5-9)6-11-7-13(15(17)18)19-14(11)16-12/h6-9H,3-5H2,1-2H3,(H,17,18).
What are the key properties of 6-propan-2-yl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxylic acid?
6-propan-2-yl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxylic acid has a molecular weight of 275.37 g/mol, XLogP of 3.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propan-2-yl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxylic acid is sourced from PubChem (CID 143292511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).