3-amino-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide

C12H13N3OS — CID 785952

IUPAC3-amino-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
SMILESNC(=O)c1sc2nc3c(cc2c1N)CCCC3
InChIInChI=1S/C12H13N3OS/c13-9-7-5-6-3-1-2-4-8(6)15-12(7)17-10(9)11(14)16/h5H,1-4,13H2,(H2,14,16)
InChIKeyBITZABPDSCHXKS-UHFFFAOYSA-N
MW247.32 g/mol
LogP1.86
Rot. Bonds1

About 3-amino-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide

3-amino-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide (PubChem CID 785952) has the molecular formula C12H13N3OS and a molecular weight of 247.32 g/mol. Its IUPAC name is 3-amino-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide.

Molecular Properties

Compound Name3-amino-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
PubChem CID785952
Molecular FormulaC12H13N3OS
Molecular Weight247.32 g/mol
Exact Mass247.08
IUPAC Name3-amino-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
SMILESNC(=O)c1sc2nc3c(cc2c1N)CCCC3
InChIInChI=1S/C12H13N3OS/c13-9-7-5-6-3-1-2-4-8(6)15-12(7)17-10(9)11(14)16/h5H,1-4,13H2,(H2,14,16)
InChIKeyBITZABPDSCHXKS-UHFFFAOYSA-N
XLogP1.86
TPSA82.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide?
The IUPAC name of 3-amino-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide (CID 785952) is 3-amino-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide.
What is the SMILES notation for 3-amino-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide?
The canonical SMILES for 3-amino-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide is NC(=O)c1sc2nc3c(cc2c1N)CCCC3.
What is the InChIKey of 3-amino-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide?
The InChIKey is BITZABPDSCHXKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3OS/c13-9-7-5-6-3-1-2-4-8(6)15-12(7)17-10(9)11(14)16/h5H,1-4,13H2,(H2,14,16).
What are the key properties of 3-amino-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide?
3-amino-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide has a molecular weight of 247.32 g/mol, XLogP of 1.86, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide is sourced from PubChem (CID 785952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).