4-[2-(dimethylamino)ethylamino]thieno[3,2-c]quinoline-7-carboxylic acid

C16H17N3O2S — CID 50941858

IUPAC4-[2-(dimethylamino)ethylamino]thieno[3,2-c]quinoline-7-carboxylic acid
SMILESCN(C)CCNc1nc2cc(C(=O)O)ccc2c2sccc12
InChIInChI=1S/C16H17N3O2S/c1-19(2)7-6-17-15-12-5-8-22-14(12)11-4-3-10(16(20)21)9-13(11)18-15/h3-5,8-9H,6-7H2,1-2H3,(H,17,18)(H,20,21)
InChIKeyHRGFNYSPNMADHN-UHFFFAOYSA-N
MW315.40 g/mol
LogP3.12
Rot. Bonds5

About 4-[2-(dimethylamino)ethylamino]thieno[3,2-c]quinoline-7-carboxylic acid

4-[2-(dimethylamino)ethylamino]thieno[3,2-c]quinoline-7-carboxylic acid (PubChem CID 50941858) has the molecular formula C16H17N3O2S and a molecular weight of 315.40 g/mol. Its IUPAC name is 4-[2-(dimethylamino)ethylamino]thieno[3,2-c]quinoline-7-carboxylic acid.

Molecular Properties

Compound Name4-[2-(dimethylamino)ethylamino]thieno[3,2-c]quinoline-7-carboxylic acid
PubChem CID50941858
Molecular FormulaC16H17N3O2S
Molecular Weight315.40 g/mol
Exact Mass315.10
IUPAC Name4-[2-(dimethylamino)ethylamino]thieno[3,2-c]quinoline-7-carboxylic acid
SMILESCN(C)CCNc1nc2cc(C(=O)O)ccc2c2sccc12
InChIInChI=1S/C16H17N3O2S/c1-19(2)7-6-17-15-12-5-8-22-14(12)11-4-3-10(16(20)21)9-13(11)18-15/h3-5,8-9H,6-7H2,1-2H3,(H,17,18)(H,20,21)
InChIKeyHRGFNYSPNMADHN-UHFFFAOYSA-N
XLogP3.12
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(dimethylamino)ethylamino]thieno[3,2-c]quinoline-7-carboxylic acid?
The IUPAC name of 4-[2-(dimethylamino)ethylamino]thieno[3,2-c]quinoline-7-carboxylic acid (CID 50941858) is 4-[2-(dimethylamino)ethylamino]thieno[3,2-c]quinoline-7-carboxylic acid.
What is the SMILES notation for 4-[2-(dimethylamino)ethylamino]thieno[3,2-c]quinoline-7-carboxylic acid?
The canonical SMILES for 4-[2-(dimethylamino)ethylamino]thieno[3,2-c]quinoline-7-carboxylic acid is CN(C)CCNc1nc2cc(C(=O)O)ccc2c2sccc12.
What is the InChIKey of 4-[2-(dimethylamino)ethylamino]thieno[3,2-c]quinoline-7-carboxylic acid?
The InChIKey is HRGFNYSPNMADHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2S/c1-19(2)7-6-17-15-12-5-8-22-14(12)11-4-3-10(16(20)21)9-13(11)18-15/h3-5,8-9H,6-7H2,1-2H3,(H,17,18)(H,20,21).
What are the key properties of 4-[2-(dimethylamino)ethylamino]thieno[3,2-c]quinoline-7-carboxylic acid?
4-[2-(dimethylamino)ethylamino]thieno[3,2-c]quinoline-7-carboxylic acid has a molecular weight of 315.40 g/mol, XLogP of 3.12, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(dimethylamino)ethylamino]thieno[3,2-c]quinoline-7-carboxylic acid is sourced from PubChem (CID 50941858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).