2H-thieno[3,2-d]quinoline

C11H9NS — CID 19960921

IUPAC2H-thieno[3,2-d]quinoline
SMILESC1=CC2=NC=CC3=CCSC32C=C1
InChIInChI=1S/C11H9NS/c1-2-6-11-9(5-8-13-11)4-7-12-10(11)3-1/h1-7H,8H2
InChIKeyQMLFFJHKCFMENZ-UHFFFAOYSA-N
MW187.27 g/mol
LogP2.49
Rot. Bonds

About 2H-thieno[3,2-d]quinoline

2H-thieno[3,2-d]quinoline (PubChem CID 19960921) has the molecular formula C11H9NS and a molecular weight of 187.27 g/mol. Its IUPAC name is 2H-thieno[3,2-d]quinoline.

Molecular Properties

Compound Name2H-thieno[3,2-d]quinoline
PubChem CID19960921
Molecular FormulaC11H9NS
Molecular Weight187.27 g/mol
Exact Mass187.05
IUPAC Name2H-thieno[3,2-d]quinoline
SMILESC1=CC2=NC=CC3=CCSC32C=C1
InChIInChI=1S/C11H9NS/c1-2-6-11-9(5-8-13-11)4-7-12-10(11)3-1/h1-7H,8H2
InChIKeyQMLFFJHKCFMENZ-UHFFFAOYSA-N
XLogP2.49
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.27
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2H-thieno[3,2-d]quinoline?
The IUPAC name of 2H-thieno[3,2-d]quinoline (CID 19960921) is 2H-thieno[3,2-d]quinoline.
What is the SMILES notation for 2H-thieno[3,2-d]quinoline?
The canonical SMILES for 2H-thieno[3,2-d]quinoline is C1=CC2=NC=CC3=CCSC32C=C1.
What is the InChIKey of 2H-thieno[3,2-d]quinoline?
The InChIKey is QMLFFJHKCFMENZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NS/c1-2-6-11-9(5-8-13-11)4-7-12-10(11)3-1/h1-7H,8H2.
What are the key properties of 2H-thieno[3,2-d]quinoline?
2H-thieno[3,2-d]quinoline has a molecular weight of 187.27 g/mol, XLogP of 2.49, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-thieno[3,2-d]quinoline is sourced from PubChem (CID 19960921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).