2,4-dimethyl-2,3-dihydrothieno[3,2-c]quinoline-8-carboxylic acid

C14H13NO2S — CID 2861871

IUPAC2,4-dimethyl-2,3-dihydrothieno[3,2-c]quinoline-8-carboxylic acid
SMILESCc1nc2ccc(C(=O)O)cc2c2c1CC(C)S2
InChIInChI=1S/C14H13NO2S/c1-7-5-10-8(2)15-12-4-3-9(14(16)17)6-11(12)13(10)18-7/h3-4,6-7H,5H2,1-2H3,(H,16,17)
InChIKeyNTACNXAPWZLEEF-UHFFFAOYSA-N
MW259.33 g/mol
LogP3.28
Rot. Bonds1

About 2,4-dimethyl-2,3-dihydrothieno[3,2-c]quinoline-8-carboxylic acid

2,4-dimethyl-2,3-dihydrothieno[3,2-c]quinoline-8-carboxylic acid (PubChem CID 2861871) has the molecular formula C14H13NO2S and a molecular weight of 259.33 g/mol. Its IUPAC name is 2,4-dimethyl-2,3-dihydrothieno[3,2-c]quinoline-8-carboxylic acid.

Molecular Properties

Compound Name2,4-dimethyl-2,3-dihydrothieno[3,2-c]quinoline-8-carboxylic acid
PubChem CID2861871
Molecular FormulaC14H13NO2S
Molecular Weight259.33 g/mol
Exact Mass259.07
IUPAC Name2,4-dimethyl-2,3-dihydrothieno[3,2-c]quinoline-8-carboxylic acid
SMILESCc1nc2ccc(C(=O)O)cc2c2c1CC(C)S2
InChIInChI=1S/C14H13NO2S/c1-7-5-10-8(2)15-12-4-3-9(14(16)17)6-11(12)13(10)18-7/h3-4,6-7H,5H2,1-2H3,(H,16,17)
InChIKeyNTACNXAPWZLEEF-UHFFFAOYSA-N
XLogP3.28
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-2,3-dihydrothieno[3,2-c]quinoline-8-carboxylic acid?
The IUPAC name of 2,4-dimethyl-2,3-dihydrothieno[3,2-c]quinoline-8-carboxylic acid (CID 2861871) is 2,4-dimethyl-2,3-dihydrothieno[3,2-c]quinoline-8-carboxylic acid.
What is the SMILES notation for 2,4-dimethyl-2,3-dihydrothieno[3,2-c]quinoline-8-carboxylic acid?
The canonical SMILES for 2,4-dimethyl-2,3-dihydrothieno[3,2-c]quinoline-8-carboxylic acid is Cc1nc2ccc(C(=O)O)cc2c2c1CC(C)S2.
What is the InChIKey of 2,4-dimethyl-2,3-dihydrothieno[3,2-c]quinoline-8-carboxylic acid?
The InChIKey is NTACNXAPWZLEEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO2S/c1-7-5-10-8(2)15-12-4-3-9(14(16)17)6-11(12)13(10)18-7/h3-4,6-7H,5H2,1-2H3,(H,16,17).
What are the key properties of 2,4-dimethyl-2,3-dihydrothieno[3,2-c]quinoline-8-carboxylic acid?
2,4-dimethyl-2,3-dihydrothieno[3,2-c]quinoline-8-carboxylic acid has a molecular weight of 259.33 g/mol, XLogP of 3.28, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-2,3-dihydrothieno[3,2-c]quinoline-8-carboxylic acid is sourced from PubChem (CID 2861871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).