6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carbonitrile;6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide

C32H38N4OS2 — CID 158446911

IUPAC6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carbonitrile;6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
SMILESCC(C)(C)C1CCc2nc3sc(C#N)cc3cc2C1.CC(C)(C)C1CCc2nc3sc(C(N)=O)cc3cc2C1
InChIInChI=1S/C16H20N2OS.C16H18N2S/c1-16(2,3)11-4-5-12-9(7-11)6-10-8-13(14(17)19)20-15(10)18-12;1-16(2,3)12-4-5-14-10(7-12)6-11-8-13(9-17)19-15(11)18-14/h6,8,11H,4-5,7H2,1-3H3,(H2,17,19);6,8,12H,4-5,7H2,1-3H3
InChIKeyHDMRSLNSHSXZND-UHFFFAOYSA-N
MW558.82 g/mol
LogP7.87
Rot. Bonds1

About 6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carbonitrile;6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide

6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carbonitrile;6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide (PubChem CID 158446911) has the molecular formula C32H38N4OS2 and a molecular weight of 558.82 g/mol. Its IUPAC name is 6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carbonitrile;6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide.

Molecular Properties

Compound Name6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carbonitrile;6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
PubChem CID158446911
Molecular FormulaC32H38N4OS2
Molecular Weight558.82 g/mol
Exact Mass558.25
IUPAC Name6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carbonitrile;6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
SMILESCC(C)(C)C1CCc2nc3sc(C#N)cc3cc2C1.CC(C)(C)C1CCc2nc3sc(C(N)=O)cc3cc2C1
InChIInChI=1S/C16H20N2OS.C16H18N2S/c1-16(2,3)11-4-5-12-9(7-11)6-10-8-13(14(17)19)20-15(10)18-12;1-16(2,3)12-4-5-14-10(7-12)6-11-8-13(9-17)19-15(11)18-14/h6,8,11H,4-5,7H2,1-3H3,(H2,17,19);6,8,12H,4-5,7H2,1-3H3
InChIKeyHDMRSLNSHSXZND-UHFFFAOYSA-N
XLogP7.87
TPSA92.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500558.82
LogP ≤ 57.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carbonitrile;6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

11-tert-butyl-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1(9),2,5,7-tetraene-5-carboxamide
CID 11847751
(6R)-6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxylic acid
CID 69152451
1-[(6S)-6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl]prop-2-yn-1-one
CID 155726073
6-tert-butyl-N-hydroxy-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide;6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxylic acid
CID 158244889
N-(2-aminoethyl)-6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
CID 11847752
2-(2-aminoethylamino)-1-(6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl)ethanone
CID 143292446
6-tert-butyl-N-[(2S)-1-hydroxybutan-2-yl]-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
CID 58749804
(6S)-6-tert-butyl-N-[(1R)-2-cyano-1-phenylethyl]-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
CID 155725973
N-[(1S)-2-amino-1-(4-carbamoylphenyl)ethyl]-6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
CID 11847821
N-(6-amino-3-pyridinyl)-6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
CID 11847861
6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carbaldehyde
CID 89208082
6-tert-butyl-N-[(1S)-2-hydroxy-1-phenylethyl]-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
CID 58749884

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carbonitrile;6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide?
The IUPAC name of 6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carbonitrile;6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide (CID 158446911) is 6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carbonitrile;6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide.
What is the SMILES notation for 6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carbonitrile;6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide?
The canonical SMILES for 6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carbonitrile;6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide is CC(C)(C)C1CCc2nc3sc(C#N)cc3cc2C1.CC(C)(C)C1CCc2nc3sc(C(N)=O)cc3cc2C1.
What is the InChIKey of 6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carbonitrile;6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide?
The InChIKey is HDMRSLNSHSXZND-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2OS.C16H18N2S/c1-16(2,3)11-4-5-12-9(7-11)6-10-8-13(14(17)19)20-15(10)18-12;1-16(2,3)12-4-5-14-10(7-12)6-11-8-13(9-17)19-15(11)18-14/h6,8,11H,4-5,7H2,1-3H3,(H2,17,19);6,8,12H,4-5,7H2,1-3H3.
What are the key properties of 6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carbonitrile;6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide?
6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carbonitrile;6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide has a molecular weight of 558.82 g/mol, XLogP of 7.87, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carbonitrile;6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide is sourced from PubChem (CID 158446911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).