3-[2-(4-methylquinolin-2-yl)sulfanylethyl]imidazolidine-2,4-dione

C15H15N3O2S — CID 35359941

IUPAC3-[2-(4-methylquinolin-2-yl)sulfanylethyl]imidazolidine-2,4-dione
SMILESCc1cc(SCCN2C(=O)CNC2=O)nc2ccccc12
InChIInChI=1S/C15H15N3O2S/c1-10-8-13(17-12-5-3-2-4-11(10)12)21-7-6-18-14(19)9-16-15(18)20/h2-5,8H,6-7,9H2,1H3,(H,16,20)
InChIKeyAFWMQBOEQLDOJL-UHFFFAOYSA-N
MW301.37 g/mol
LogP2.19
Rot. Bonds4

About 3-[2-(4-methylquinolin-2-yl)sulfanylethyl]imidazolidine-2,4-dione

3-[2-(4-methylquinolin-2-yl)sulfanylethyl]imidazolidine-2,4-dione (PubChem CID 35359941) has the molecular formula C15H15N3O2S and a molecular weight of 301.37 g/mol. Its IUPAC name is 3-[2-(4-methylquinolin-2-yl)sulfanylethyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[2-(4-methylquinolin-2-yl)sulfanylethyl]imidazolidine-2,4-dione
PubChem CID35359941
Molecular FormulaC15H15N3O2S
Molecular Weight301.37 g/mol
Exact Mass301.09
IUPAC Name3-[2-(4-methylquinolin-2-yl)sulfanylethyl]imidazolidine-2,4-dione
SMILESCc1cc(SCCN2C(=O)CNC2=O)nc2ccccc12
InChIInChI=1S/C15H15N3O2S/c1-10-8-13(17-12-5-3-2-4-11(10)12)21-7-6-18-14(19)9-16-15(18)20/h2-5,8H,6-7,9H2,1H3,(H,16,20)
InChIKeyAFWMQBOEQLDOJL-UHFFFAOYSA-N
XLogP2.19
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-methylquinolin-2-yl)sulfanylethyl]imidazolidine-2,4-dione?
The IUPAC name of 3-[2-(4-methylquinolin-2-yl)sulfanylethyl]imidazolidine-2,4-dione (CID 35359941) is 3-[2-(4-methylquinolin-2-yl)sulfanylethyl]imidazolidine-2,4-dione.
What is the SMILES notation for 3-[2-(4-methylquinolin-2-yl)sulfanylethyl]imidazolidine-2,4-dione?
The canonical SMILES for 3-[2-(4-methylquinolin-2-yl)sulfanylethyl]imidazolidine-2,4-dione is Cc1cc(SCCN2C(=O)CNC2=O)nc2ccccc12.
What is the InChIKey of 3-[2-(4-methylquinolin-2-yl)sulfanylethyl]imidazolidine-2,4-dione?
The InChIKey is AFWMQBOEQLDOJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2S/c1-10-8-13(17-12-5-3-2-4-11(10)12)21-7-6-18-14(19)9-16-15(18)20/h2-5,8H,6-7,9H2,1H3,(H,16,20).
What are the key properties of 3-[2-(4-methylquinolin-2-yl)sulfanylethyl]imidazolidine-2,4-dione?
3-[2-(4-methylquinolin-2-yl)sulfanylethyl]imidazolidine-2,4-dione has a molecular weight of 301.37 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-methylquinolin-2-yl)sulfanylethyl]imidazolidine-2,4-dione is sourced from PubChem (CID 35359941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).