2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-quinolin-4-ylacetamide

C15H15N5OS — CID 973895

IUPAC2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-quinolin-4-ylacetamide
SMILESCCc1nc(SCC(=O)Nc2ccnc3ccccc23)n[nH]1
InChIInChI=1S/C15H15N5OS/c1-2-13-18-15(20-19-13)22-9-14(21)17-12-7-8-16-11-6-4-3-5-10(11)12/h3-8H,2,9H2,1H3,(H,16,17,21)(H,18,19,20)
InChIKeyQKCVLHBNRNUZCD-UHFFFAOYSA-N
MW313.39 g/mol
LogP2.65
Rot. Bonds5

About 2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-quinolin-4-ylacetamide

2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-quinolin-4-ylacetamide (PubChem CID 973895) has the molecular formula C15H15N5OS and a molecular weight of 313.39 g/mol. Its IUPAC name is 2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-quinolin-4-ylacetamide.

Molecular Properties

Compound Name2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-quinolin-4-ylacetamide
PubChem CID973895
Molecular FormulaC15H15N5OS
Molecular Weight313.39 g/mol
Exact Mass313.10
IUPAC Name2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-quinolin-4-ylacetamide
SMILESCCc1nc(SCC(=O)Nc2ccnc3ccccc23)n[nH]1
InChIInChI=1S/C15H15N5OS/c1-2-13-18-15(20-19-13)22-9-14(21)17-12-7-8-16-11-6-4-3-5-10(11)12/h3-8H,2,9H2,1H3,(H,16,17,21)(H,18,19,20)
InChIKeyQKCVLHBNRNUZCD-UHFFFAOYSA-N
XLogP2.65
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.39
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-quinolin-4-ylacetamide?
The IUPAC name of 2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-quinolin-4-ylacetamide (CID 973895) is 2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-quinolin-4-ylacetamide.
What is the SMILES notation for 2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-quinolin-4-ylacetamide?
The canonical SMILES for 2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-quinolin-4-ylacetamide is CCc1nc(SCC(=O)Nc2ccnc3ccccc23)n[nH]1.
What is the InChIKey of 2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-quinolin-4-ylacetamide?
The InChIKey is QKCVLHBNRNUZCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5OS/c1-2-13-18-15(20-19-13)22-9-14(21)17-12-7-8-16-11-6-4-3-5-10(11)12/h3-8H,2,9H2,1H3,(H,16,17,21)(H,18,19,20).
What are the key properties of 2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-quinolin-4-ylacetamide?
2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-quinolin-4-ylacetamide has a molecular weight of 313.39 g/mol, XLogP of 2.65, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-quinolin-4-ylacetamide is sourced from PubChem (CID 973895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).