3-amino-6-(2-methylbutan-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carbonitrile

C17H21N3S — CID 11572989

IUPAC3-amino-6-(2-methylbutan-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carbonitrile
SMILESCCC(C)(C)C1CCc2nc3sc(C#N)c(N)c3cc2C1
InChIInChI=1S/C17H21N3S/c1-4-17(2,3)11-5-6-13-10(7-11)8-12-15(19)14(9-18)21-16(12)20-13/h8,11H,4-7,19H2,1-3H3
InChIKeyANURNXWBHYAZMO-UHFFFAOYSA-N
MW299.44 g/mol
LogP4.29
Rot. Bonds2

About 3-amino-6-(2-methylbutan-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carbonitrile

3-amino-6-(2-methylbutan-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carbonitrile (PubChem CID 11572989) has the molecular formula C17H21N3S and a molecular weight of 299.44 g/mol. Its IUPAC name is 3-amino-6-(2-methylbutan-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carbonitrile.

Molecular Properties

Compound Name3-amino-6-(2-methylbutan-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carbonitrile
PubChem CID11572989
Molecular FormulaC17H21N3S
Molecular Weight299.44 g/mol
Exact Mass299.15
IUPAC Name3-amino-6-(2-methylbutan-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carbonitrile
SMILESCCC(C)(C)C1CCc2nc3sc(C#N)c(N)c3cc2C1
InChIInChI=1S/C17H21N3S/c1-4-17(2,3)11-5-6-13-10(7-11)8-12-15(19)14(9-18)21-16(12)20-13/h8,11H,4-7,19H2,1-3H3
InChIKeyANURNXWBHYAZMO-UHFFFAOYSA-N
XLogP4.29
TPSA62.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-(2-methylbutan-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carbonitrile?
The IUPAC name of 3-amino-6-(2-methylbutan-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carbonitrile (CID 11572989) is 3-amino-6-(2-methylbutan-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carbonitrile.
What is the SMILES notation for 3-amino-6-(2-methylbutan-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carbonitrile?
The canonical SMILES for 3-amino-6-(2-methylbutan-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carbonitrile is CCC(C)(C)C1CCc2nc3sc(C#N)c(N)c3cc2C1.
What is the InChIKey of 3-amino-6-(2-methylbutan-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carbonitrile?
The InChIKey is ANURNXWBHYAZMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3S/c1-4-17(2,3)11-5-6-13-10(7-11)8-12-15(19)14(9-18)21-16(12)20-13/h8,11H,4-7,19H2,1-3H3.
What are the key properties of 3-amino-6-(2-methylbutan-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carbonitrile?
3-amino-6-(2-methylbutan-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carbonitrile has a molecular weight of 299.44 g/mol, XLogP of 4.29, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-(2-methylbutan-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carbonitrile is sourced from PubChem (CID 11572989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).