(5S,7S)-4-amino-7-propan-2-yl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-5-ol

C14H18N2OS — CID 23659248

IUPAC(5S,7S)-4-amino-7-propan-2-yl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-5-ol
SMILESCC(C)[C@H]1Cc2nc3sccc3c(N)c2[C@@H](O)C1
InChIInChI=1S/C14H18N2OS/c1-7(2)8-5-10-12(11(17)6-8)13(15)9-3-4-18-14(9)16-10/h3-4,7-8,11,17H,5-6H2,1-2H3,(H2,15,16)/t8-,11-/m0/s1
InChIKeyUJSDJYJFWGDFPF-KWQFWETISA-N
MW262.38 g/mol
LogP3.13
Rot. Bonds1

About (5S,7S)-4-amino-7-propan-2-yl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-5-ol

(5S,7S)-4-amino-7-propan-2-yl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-5-ol (PubChem CID 23659248) has the molecular formula C14H18N2OS and a molecular weight of 262.38 g/mol. Its IUPAC name is (5S,7S)-4-amino-7-propan-2-yl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-5-ol.

Molecular Properties

Compound Name(5S,7S)-4-amino-7-propan-2-yl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-5-ol
PubChem CID23659248
Molecular FormulaC14H18N2OS
Molecular Weight262.38 g/mol
Exact Mass262.11
IUPAC Name(5S,7S)-4-amino-7-propan-2-yl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-5-ol
SMILESCC(C)[C@H]1Cc2nc3sccc3c(N)c2[C@@H](O)C1
InChIInChI=1S/C14H18N2OS/c1-7(2)8-5-10-12(11(17)6-8)13(15)9-3-4-18-14(9)16-10/h3-4,7-8,11,17H,5-6H2,1-2H3,(H2,15,16)/t8-,11-/m0/s1
InChIKeyUJSDJYJFWGDFPF-KWQFWETISA-N
XLogP3.13
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5S,7S)-4-amino-7-propan-2-yl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-5-ol?
The IUPAC name of (5S,7S)-4-amino-7-propan-2-yl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-5-ol (CID 23659248) is (5S,7S)-4-amino-7-propan-2-yl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-5-ol.
What is the SMILES notation for (5S,7S)-4-amino-7-propan-2-yl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-5-ol?
The canonical SMILES for (5S,7S)-4-amino-7-propan-2-yl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-5-ol is CC(C)[C@H]1Cc2nc3sccc3c(N)c2[C@@H](O)C1.
What is the InChIKey of (5S,7S)-4-amino-7-propan-2-yl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-5-ol?
The InChIKey is UJSDJYJFWGDFPF-KWQFWETISA-N. The full InChI is InChI=1S/C14H18N2OS/c1-7(2)8-5-10-12(11(17)6-8)13(15)9-3-4-18-14(9)16-10/h3-4,7-8,11,17H,5-6H2,1-2H3,(H2,15,16)/t8-,11-/m0/s1.
What are the key properties of (5S,7S)-4-amino-7-propan-2-yl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-5-ol?
(5S,7S)-4-amino-7-propan-2-yl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-5-ol has a molecular weight of 262.38 g/mol, XLogP of 3.13, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,7S)-4-amino-7-propan-2-yl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-5-ol is sourced from PubChem (CID 23659248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).