thieno[2,3-b][1,8]naphthyridine-2-carboxylic acid

C11H6N2O2S — CID 91155964

IUPACthieno[2,3-b][1,8]naphthyridine-2-carboxylic acid
SMILESO=C(O)c1cc2cc3cccnc3nc2s1
InChIInChI=1S/C11H6N2O2S/c14-11(15)8-5-7-4-6-2-1-3-12-9(6)13-10(7)16-8/h1-5H,(H,14,15)
InChIKeyLVSWQSDAOZAQNB-UHFFFAOYSA-N
MW230.25 g/mol
LogP2.54
Rot. Bonds1

About thieno[2,3-b][1,8]naphthyridine-2-carboxylic acid

thieno[2,3-b][1,8]naphthyridine-2-carboxylic acid (PubChem CID 91155964) has the molecular formula C11H6N2O2S and a molecular weight of 230.25 g/mol. Its IUPAC name is thieno[2,3-b][1,8]naphthyridine-2-carboxylic acid.

Molecular Properties

Compound Namethieno[2,3-b][1,8]naphthyridine-2-carboxylic acid
PubChem CID91155964
Molecular FormulaC11H6N2O2S
Molecular Weight230.25 g/mol
Exact Mass230.01
IUPAC Namethieno[2,3-b][1,8]naphthyridine-2-carboxylic acid
SMILESO=C(O)c1cc2cc3cccnc3nc2s1
InChIInChI=1S/C11H6N2O2S/c14-11(15)8-5-7-4-6-2-1-3-12-9(6)13-10(7)16-8/h1-5H,(H,14,15)
InChIKeyLVSWQSDAOZAQNB-UHFFFAOYSA-N
XLogP2.54
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.25
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of thieno[2,3-b][1,8]naphthyridine-2-carboxylic acid?
The IUPAC name of thieno[2,3-b][1,8]naphthyridine-2-carboxylic acid (CID 91155964) is thieno[2,3-b][1,8]naphthyridine-2-carboxylic acid.
What is the SMILES notation for thieno[2,3-b][1,8]naphthyridine-2-carboxylic acid?
The canonical SMILES for thieno[2,3-b][1,8]naphthyridine-2-carboxylic acid is O=C(O)c1cc2cc3cccnc3nc2s1.
What is the InChIKey of thieno[2,3-b][1,8]naphthyridine-2-carboxylic acid?
The InChIKey is LVSWQSDAOZAQNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6N2O2S/c14-11(15)8-5-7-4-6-2-1-3-12-9(6)13-10(7)16-8/h1-5H,(H,14,15).
What are the key properties of thieno[2,3-b][1,8]naphthyridine-2-carboxylic acid?
thieno[2,3-b][1,8]naphthyridine-2-carboxylic acid has a molecular weight of 230.25 g/mol, XLogP of 2.54, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for thieno[2,3-b][1,8]naphthyridine-2-carboxylic acid is sourced from PubChem (CID 91155964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).