6-propylsulfanyl-1H-quinolin-4-one

C12H13NOS — CID 67468428

IUPAC6-propylsulfanyl-1H-quinolin-4-one
SMILESCCCSc1ccc2[nH]ccc(=O)c2c1
InChIInChI=1S/C12H13NOS/c1-2-7-15-9-3-4-11-10(8-9)12(14)5-6-13-11/h3-6,8H,2,7H2,1H3,(H,13,14)
InChIKeyILGIGIXZBGJDLR-UHFFFAOYSA-N
MW219.31 g/mol
LogP3.03
Rot. Bonds3

About 6-propylsulfanyl-1H-quinolin-4-one

6-propylsulfanyl-1H-quinolin-4-one (PubChem CID 67468428) has the molecular formula C12H13NOS and a molecular weight of 219.31 g/mol. Its IUPAC name is 6-propylsulfanyl-1H-quinolin-4-one.

Molecular Properties

Compound Name6-propylsulfanyl-1H-quinolin-4-one
PubChem CID67468428
Molecular FormulaC12H13NOS
Molecular Weight219.31 g/mol
Exact Mass219.07
IUPAC Name6-propylsulfanyl-1H-quinolin-4-one
SMILESCCCSc1ccc2[nH]ccc(=O)c2c1
InChIInChI=1S/C12H13NOS/c1-2-7-15-9-3-4-11-10(8-9)12(14)5-6-13-11/h3-6,8H,2,7H2,1H3,(H,13,14)
InChIKeyILGIGIXZBGJDLR-UHFFFAOYSA-N
XLogP3.03
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.31
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-propylsulfanyl-1H-quinolin-4-one?
The IUPAC name of 6-propylsulfanyl-1H-quinolin-4-one (CID 67468428) is 6-propylsulfanyl-1H-quinolin-4-one.
What is the SMILES notation for 6-propylsulfanyl-1H-quinolin-4-one?
The canonical SMILES for 6-propylsulfanyl-1H-quinolin-4-one is CCCSc1ccc2[nH]ccc(=O)c2c1.
What is the InChIKey of 6-propylsulfanyl-1H-quinolin-4-one?
The InChIKey is ILGIGIXZBGJDLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NOS/c1-2-7-15-9-3-4-11-10(8-9)12(14)5-6-13-11/h3-6,8H,2,7H2,1H3,(H,13,14).
What are the key properties of 6-propylsulfanyl-1H-quinolin-4-one?
6-propylsulfanyl-1H-quinolin-4-one has a molecular weight of 219.31 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propylsulfanyl-1H-quinolin-4-one is sourced from PubChem (CID 67468428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).