1-cyclopropyl-3-phenylsulfanylquinolin-4-one

C18H15NOS — CID 171745593

IUPAC1-cyclopropyl-3-phenylsulfanylquinolin-4-one
SMILESO=c1c(Sc2ccccc2)cn(C2CC2)c2ccccc12
InChIInChI=1S/C18H15NOS/c20-18-15-8-4-5-9-16(15)19(13-10-11-13)12-17(18)21-14-6-2-1-3-7-14/h1-9,12-13H,10-11H2
InChIKeyBSUHCNCBMHXAFQ-UHFFFAOYSA-N
MW293.39 g/mol
LogP4.49
Rot. Bonds3

About 1-cyclopropyl-3-phenylsulfanylquinolin-4-one

1-cyclopropyl-3-phenylsulfanylquinolin-4-one (PubChem CID 171745593) has the molecular formula C18H15NOS and a molecular weight of 293.39 g/mol. Its IUPAC name is 1-cyclopropyl-3-phenylsulfanylquinolin-4-one.

Molecular Properties

Compound Name1-cyclopropyl-3-phenylsulfanylquinolin-4-one
PubChem CID171745593
Molecular FormulaC18H15NOS
Molecular Weight293.39 g/mol
Exact Mass293.09
IUPAC Name1-cyclopropyl-3-phenylsulfanylquinolin-4-one
SMILESO=c1c(Sc2ccccc2)cn(C2CC2)c2ccccc12
InChIInChI=1S/C18H15NOS/c20-18-15-8-4-5-9-16(15)19(13-10-11-13)12-17(18)21-14-6-2-1-3-7-14/h1-9,12-13H,10-11H2
InChIKeyBSUHCNCBMHXAFQ-UHFFFAOYSA-N
XLogP4.49
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-phenylsulfanylquinolin-4-one?
The IUPAC name of 1-cyclopropyl-3-phenylsulfanylquinolin-4-one (CID 171745593) is 1-cyclopropyl-3-phenylsulfanylquinolin-4-one.
What is the SMILES notation for 1-cyclopropyl-3-phenylsulfanylquinolin-4-one?
The canonical SMILES for 1-cyclopropyl-3-phenylsulfanylquinolin-4-one is O=c1c(Sc2ccccc2)cn(C2CC2)c2ccccc12.
What is the InChIKey of 1-cyclopropyl-3-phenylsulfanylquinolin-4-one?
The InChIKey is BSUHCNCBMHXAFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NOS/c20-18-15-8-4-5-9-16(15)19(13-10-11-13)12-17(18)21-14-6-2-1-3-7-14/h1-9,12-13H,10-11H2.
What are the key properties of 1-cyclopropyl-3-phenylsulfanylquinolin-4-one?
1-cyclopropyl-3-phenylsulfanylquinolin-4-one has a molecular weight of 293.39 g/mol, XLogP of 4.49, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-phenylsulfanylquinolin-4-one is sourced from PubChem (CID 171745593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).