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

C14H15N3S — CID 5120481

IUPAC3-amino-6-ethyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carbonitrile
SMILESCCC1CCc2nc3sc(C#N)c(N)c3cc2C1
InChIInChI=1S/C14H15N3S/c1-2-8-3-4-11-9(5-8)6-10-13(16)12(7-15)18-14(10)17-11/h6,8H,2-5,16H2,1H3
InChIKeyRWAXGNWGIQLAFR-UHFFFAOYSA-N
MW257.36 g/mol
LogP3.27
Rot. Bonds1

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

3-amino-6-ethyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carbonitrile (PubChem CID 5120481) has the molecular formula C14H15N3S and a molecular weight of 257.36 g/mol. Its IUPAC name is 3-amino-6-ethyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carbonitrile.

Molecular Properties

Compound Name3-amino-6-ethyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carbonitrile
PubChem CID5120481
Molecular FormulaC14H15N3S
Molecular Weight257.36 g/mol
Exact Mass257.10
IUPAC Name3-amino-6-ethyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carbonitrile
SMILESCCC1CCc2nc3sc(C#N)c(N)c3cc2C1
InChIInChI=1S/C14H15N3S/c1-2-8-3-4-11-9(5-8)6-10-13(16)12(7-15)18-14(10)17-11/h6,8H,2-5,16H2,1H3
InChIKeyRWAXGNWGIQLAFR-UHFFFAOYSA-N
XLogP3.27
TPSA62.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 663574
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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-ethyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carbonitrile?
The IUPAC name of 3-amino-6-ethyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carbonitrile (CID 5120481) is 3-amino-6-ethyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carbonitrile.
What is the SMILES notation for 3-amino-6-ethyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carbonitrile?
The canonical SMILES for 3-amino-6-ethyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carbonitrile is CCC1CCc2nc3sc(C#N)c(N)c3cc2C1.
What is the InChIKey of 3-amino-6-ethyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carbonitrile?
The InChIKey is RWAXGNWGIQLAFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3S/c1-2-8-3-4-11-9(5-8)6-10-13(16)12(7-15)18-14(10)17-11/h6,8H,2-5,16H2,1H3.
What are the key properties of 3-amino-6-ethyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carbonitrile?
3-amino-6-ethyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carbonitrile has a molecular weight of 257.36 g/mol, XLogP of 3.27, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-ethyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carbonitrile is sourced from PubChem (CID 5120481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).