6-tert-butyl-2-ethyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline

C17H23NS — CID 58749631

IUPAC6-tert-butyl-2-ethyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline
SMILESCCc1cc2cc3c(nc2s1)CCC(C(C)(C)C)C3
InChIInChI=1S/C17H23NS/c1-5-14-10-12-8-11-9-13(17(2,3)4)6-7-15(11)18-16(12)19-14/h8,10,13H,5-7,9H2,1-4H3
InChIKeyOWXNWWFJQVDGOX-UHFFFAOYSA-N
MW273.45 g/mol
LogP5.01
Rot. Bonds1

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

6-tert-butyl-2-ethyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline (PubChem CID 58749631) has the molecular formula C17H23NS and a molecular weight of 273.45 g/mol. Its IUPAC name is 6-tert-butyl-2-ethyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline.

Molecular Properties

Compound Name6-tert-butyl-2-ethyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline
PubChem CID58749631
Molecular FormulaC17H23NS
Molecular Weight273.45 g/mol
Exact Mass273.16
IUPAC Name6-tert-butyl-2-ethyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline
SMILESCCc1cc2cc3c(nc2s1)CCC(C(C)(C)C)C3
InChIInChI=1S/C17H23NS/c1-5-14-10-12-8-11-9-13(17(2,3)4)6-7-15(11)18-16(12)19-14/h8,10,13H,5-7,9H2,1-4H3
InChIKeyOWXNWWFJQVDGOX-UHFFFAOYSA-N
XLogP5.01
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500273.45
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-2-ethyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline?
The IUPAC name of 6-tert-butyl-2-ethyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline (CID 58749631) is 6-tert-butyl-2-ethyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline.
What is the SMILES notation for 6-tert-butyl-2-ethyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline?
The canonical SMILES for 6-tert-butyl-2-ethyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline is CCc1cc2cc3c(nc2s1)CCC(C(C)(C)C)C3.
What is the InChIKey of 6-tert-butyl-2-ethyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline?
The InChIKey is OWXNWWFJQVDGOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NS/c1-5-14-10-12-8-11-9-13(17(2,3)4)6-7-15(11)18-16(12)19-14/h8,10,13H,5-7,9H2,1-4H3.
What are the key properties of 6-tert-butyl-2-ethyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline?
6-tert-butyl-2-ethyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline has a molecular weight of 273.45 g/mol, XLogP of 5.01, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-2-ethyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline is sourced from PubChem (CID 58749631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).