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

C16H21NOS — CID 11847753

IUPAC(6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl)methanol
SMILESCC(C)(C)C1CCc2nc3sc(CO)cc3cc2C1
InChIInChI=1S/C16H21NOS/c1-16(2,3)12-4-5-14-10(7-12)6-11-8-13(9-18)19-15(11)17-14/h6,8,12,18H,4-5,7,9H2,1-3H3
InChIKeyIFVYHUQYVSZEET-UHFFFAOYSA-N
MW275.42 g/mol
LogP3.94
Rot. Bonds1

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

(6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl)methanol (PubChem CID 11847753) has the molecular formula C16H21NOS and a molecular weight of 275.42 g/mol. Its IUPAC name is (6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl)methanol.

Molecular Properties

Compound Name(6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl)methanol
PubChem CID11847753
Molecular FormulaC16H21NOS
Molecular Weight275.42 g/mol
Exact Mass275.13
IUPAC Name(6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl)methanol
SMILESCC(C)(C)C1CCc2nc3sc(CO)cc3cc2C1
InChIInChI=1S/C16H21NOS/c1-16(2,3)12-4-5-14-10(7-12)6-11-8-13(9-18)19-15(11)17-14/h6,8,12,18H,4-5,7,9H2,1-3H3
InChIKeyIFVYHUQYVSZEET-UHFFFAOYSA-N
XLogP3.94
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl)methanol?
The IUPAC name of (6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl)methanol (CID 11847753) is (6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl)methanol.
What is the SMILES notation for (6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl)methanol?
The canonical SMILES for (6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl)methanol is CC(C)(C)C1CCc2nc3sc(CO)cc3cc2C1.
What is the InChIKey of (6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl)methanol?
The InChIKey is IFVYHUQYVSZEET-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NOS/c1-16(2,3)12-4-5-14-10(7-12)6-11-8-13(9-18)19-15(11)17-14/h6,8,12,18H,4-5,7,9H2,1-3H3.
What are the key properties of (6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl)methanol?
(6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl)methanol has a molecular weight of 275.42 g/mol, XLogP of 3.94, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl)methanol is sourced from PubChem (CID 11847753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).