5-amino-6-(1-propylsulfanylethyl)-1H-quinolin-2-one

C14H18N2OS — CID 10400490

IUPAC5-amino-6-(1-propylsulfanylethyl)-1H-quinolin-2-one
SMILESCCCSC(C)c1ccc2[nH]c(=O)ccc2c1N
InChIInChI=1S/C14H18N2OS/c1-3-8-18-9(2)10-4-6-12-11(14(10)15)5-7-13(17)16-12/h4-7,9H,3,8,15H2,1-2H3,(H,16,17)
InChIKeyGNNRSFSXPAYKIR-UHFFFAOYSA-N
MW262.38 g/mol
LogP3.31
Rot. Bonds4

About 5-amino-6-(1-propylsulfanylethyl)-1H-quinolin-2-one

5-amino-6-(1-propylsulfanylethyl)-1H-quinolin-2-one (PubChem CID 10400490) has the molecular formula C14H18N2OS and a molecular weight of 262.38 g/mol. Its IUPAC name is 5-amino-6-(1-propylsulfanylethyl)-1H-quinolin-2-one.

Molecular Properties

Compound Name5-amino-6-(1-propylsulfanylethyl)-1H-quinolin-2-one
PubChem CID10400490
Molecular FormulaC14H18N2OS
Molecular Weight262.38 g/mol
Exact Mass262.11
IUPAC Name5-amino-6-(1-propylsulfanylethyl)-1H-quinolin-2-one
SMILESCCCSC(C)c1ccc2[nH]c(=O)ccc2c1N
InChIInChI=1S/C14H18N2OS/c1-3-8-18-9(2)10-4-6-12-11(14(10)15)5-7-13(17)16-12/h4-7,9H,3,8,15H2,1-2H3,(H,16,17)
InChIKeyGNNRSFSXPAYKIR-UHFFFAOYSA-N
XLogP3.31
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-amino-6-(1-propylsulfanylethyl)-1H-quinolin-2-one?
The IUPAC name of 5-amino-6-(1-propylsulfanylethyl)-1H-quinolin-2-one (CID 10400490) is 5-amino-6-(1-propylsulfanylethyl)-1H-quinolin-2-one.
What is the SMILES notation for 5-amino-6-(1-propylsulfanylethyl)-1H-quinolin-2-one?
The canonical SMILES for 5-amino-6-(1-propylsulfanylethyl)-1H-quinolin-2-one is CCCSC(C)c1ccc2[nH]c(=O)ccc2c1N.
What is the InChIKey of 5-amino-6-(1-propylsulfanylethyl)-1H-quinolin-2-one?
The InChIKey is GNNRSFSXPAYKIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2OS/c1-3-8-18-9(2)10-4-6-12-11(14(10)15)5-7-13(17)16-12/h4-7,9H,3,8,15H2,1-2H3,(H,16,17).
What are the key properties of 5-amino-6-(1-propylsulfanylethyl)-1H-quinolin-2-one?
5-amino-6-(1-propylsulfanylethyl)-1H-quinolin-2-one has a molecular weight of 262.38 g/mol, XLogP of 3.31, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-(1-propylsulfanylethyl)-1H-quinolin-2-one is sourced from PubChem (CID 10400490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).