N-[(6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl)methyl]cyclopropanecarboxamide

C20H26N2OS — CID 143292556

IUPACN-[(6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl)methyl]cyclopropanecarboxamide
SMILESCC(C)(C)C1CCc2nc3sc(CNC(=O)C4CC4)cc3cc2C1
InChIInChI=1S/C20H26N2OS/c1-20(2,3)15-6-7-17-13(9-15)8-14-10-16(24-19(14)22-17)11-21-18(23)12-4-5-12/h8,10,12,15H,4-7,9,11H2,1-3H3,(H,21,23)
InChIKeyDVSMKTDIPJNGLR-UHFFFAOYSA-N
MW342.51 g/mol
LogP4.47
Rot. Bonds3

About N-[(6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl)methyl]cyclopropanecarboxamide

N-[(6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl)methyl]cyclopropanecarboxamide (PubChem CID 143292556) has the molecular formula C20H26N2OS and a molecular weight of 342.51 g/mol. Its IUPAC name is N-[(6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl)methyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[(6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl)methyl]cyclopropanecarboxamide
PubChem CID143292556
Molecular FormulaC20H26N2OS
Molecular Weight342.51 g/mol
Exact Mass342.18
IUPAC NameN-[(6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl)methyl]cyclopropanecarboxamide
SMILESCC(C)(C)C1CCc2nc3sc(CNC(=O)C4CC4)cc3cc2C1
InChIInChI=1S/C20H26N2OS/c1-20(2,3)15-6-7-17-13(9-15)8-14-10-16(24-19(14)22-17)11-21-18(23)12-4-5-12/h8,10,12,15H,4-7,9,11H2,1-3H3,(H,21,23)
InChIKeyDVSMKTDIPJNGLR-UHFFFAOYSA-N
XLogP4.47
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.51
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl)methyl]cyclopropanecarboxamide with MolForge

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Related Compounds

(6R)-6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxylic acid
CID 69152451
N-(2-aminoethyl)-6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
CID 11847752
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
6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carbaldehyde
CID 89208082
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
ethyl (6R)-3-amino-6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxylate
CID 839012
11-tert-butyl-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1(9),2,5,7-tetraene-5-carboxamide
CID 11847751
ethyl (6R)-6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-sulfinate
CID 143292491
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
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 N-[(6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl)methyl]cyclopropanecarboxamide?
The IUPAC name of N-[(6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl)methyl]cyclopropanecarboxamide (CID 143292556) is N-[(6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl)methyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[(6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl)methyl]cyclopropanecarboxamide?
The canonical SMILES for N-[(6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl)methyl]cyclopropanecarboxamide is CC(C)(C)C1CCc2nc3sc(CNC(=O)C4CC4)cc3cc2C1.
What is the InChIKey of N-[(6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl)methyl]cyclopropanecarboxamide?
The InChIKey is DVSMKTDIPJNGLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2OS/c1-20(2,3)15-6-7-17-13(9-15)8-14-10-16(24-19(14)22-17)11-21-18(23)12-4-5-12/h8,10,12,15H,4-7,9,11H2,1-3H3,(H,21,23).
What are the key properties of N-[(6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl)methyl]cyclopropanecarboxamide?
N-[(6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl)methyl]cyclopropanecarboxamide has a molecular weight of 342.51 g/mol, XLogP of 4.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl)methyl]cyclopropanecarboxamide is sourced from PubChem (CID 143292556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).