N-(8-hydroxy-4-thiophen-2-ylquinolin-7-yl)acetamide

C15H12N2O2S — CID 155186668

IUPACN-(8-hydroxy-4-thiophen-2-ylquinolin-7-yl)acetamide
SMILESCC(=O)Nc1ccc2c(-c3cccs3)ccnc2c1O
InChIInChI=1S/C15H12N2O2S/c1-9(18)17-12-5-4-11-10(13-3-2-8-20-13)6-7-16-14(11)15(12)19/h2-8,19H,1H3,(H,17,18)
InChIKeyXPLAFVDOIZNULQ-UHFFFAOYSA-N
MW284.34 g/mol
LogP3.63
Rot. Bonds2

About N-(8-hydroxy-4-thiophen-2-ylquinolin-7-yl)acetamide

N-(8-hydroxy-4-thiophen-2-ylquinolin-7-yl)acetamide (PubChem CID 155186668) has the molecular formula C15H12N2O2S and a molecular weight of 284.34 g/mol. Its IUPAC name is N-(8-hydroxy-4-thiophen-2-ylquinolin-7-yl)acetamide.

Molecular Properties

Compound NameN-(8-hydroxy-4-thiophen-2-ylquinolin-7-yl)acetamide
PubChem CID155186668
Molecular FormulaC15H12N2O2S
Molecular Weight284.34 g/mol
Exact Mass284.06
IUPAC NameN-(8-hydroxy-4-thiophen-2-ylquinolin-7-yl)acetamide
SMILESCC(=O)Nc1ccc2c(-c3cccs3)ccnc2c1O
InChIInChI=1S/C15H12N2O2S/c1-9(18)17-12-5-4-11-10(13-3-2-8-20-13)6-7-16-14(11)15(12)19/h2-8,19H,1H3,(H,17,18)
InChIKeyXPLAFVDOIZNULQ-UHFFFAOYSA-N
XLogP3.63
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(8-hydroxy-4-thiophen-2-ylquinolin-7-yl)acetamide?
The IUPAC name of N-(8-hydroxy-4-thiophen-2-ylquinolin-7-yl)acetamide (CID 155186668) is N-(8-hydroxy-4-thiophen-2-ylquinolin-7-yl)acetamide.
What is the SMILES notation for N-(8-hydroxy-4-thiophen-2-ylquinolin-7-yl)acetamide?
The canonical SMILES for N-(8-hydroxy-4-thiophen-2-ylquinolin-7-yl)acetamide is CC(=O)Nc1ccc2c(-c3cccs3)ccnc2c1O.
What is the InChIKey of N-(8-hydroxy-4-thiophen-2-ylquinolin-7-yl)acetamide?
The InChIKey is XPLAFVDOIZNULQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O2S/c1-9(18)17-12-5-4-11-10(13-3-2-8-20-13)6-7-16-14(11)15(12)19/h2-8,19H,1H3,(H,17,18).
What are the key properties of N-(8-hydroxy-4-thiophen-2-ylquinolin-7-yl)acetamide?
N-(8-hydroxy-4-thiophen-2-ylquinolin-7-yl)acetamide has a molecular weight of 284.34 g/mol, XLogP of 3.63, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-hydroxy-4-thiophen-2-ylquinolin-7-yl)acetamide is sourced from PubChem (CID 155186668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).