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

C16H14N2O2S — CID 155168948

IUPACN-(8-methoxy-4-thiophen-2-ylquinolin-7-yl)acetamide
SMILESCOc1c(NC(C)=O)ccc2c(-c3cccs3)ccnc12
InChIInChI=1S/C16H14N2O2S/c1-10(19)18-13-6-5-12-11(14-4-3-9-21-14)7-8-17-15(12)16(13)20-2/h3-9H,1-2H3,(H,18,19)
InChIKeyASXUTVDXYDJKQB-UHFFFAOYSA-N
MW298.37 g/mol
LogP3.93
Rot. Bonds3

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

N-(8-methoxy-4-thiophen-2-ylquinolin-7-yl)acetamide (PubChem CID 155168948) has the molecular formula C16H14N2O2S and a molecular weight of 298.37 g/mol. Its IUPAC name is N-(8-methoxy-4-thiophen-2-ylquinolin-7-yl)acetamide.

Molecular Properties

Compound NameN-(8-methoxy-4-thiophen-2-ylquinolin-7-yl)acetamide
PubChem CID155168948
Molecular FormulaC16H14N2O2S
Molecular Weight298.37 g/mol
Exact Mass298.08
IUPAC NameN-(8-methoxy-4-thiophen-2-ylquinolin-7-yl)acetamide
SMILESCOc1c(NC(C)=O)ccc2c(-c3cccs3)ccnc12
InChIInChI=1S/C16H14N2O2S/c1-10(19)18-13-6-5-12-11(14-4-3-9-21-14)7-8-17-15(12)16(13)20-2/h3-9H,1-2H3,(H,18,19)
InChIKeyASXUTVDXYDJKQB-UHFFFAOYSA-N
XLogP3.93
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(8-methoxy-4-thiophen-2-ylquinolin-7-yl)acetamide?
The IUPAC name of N-(8-methoxy-4-thiophen-2-ylquinolin-7-yl)acetamide (CID 155168948) is N-(8-methoxy-4-thiophen-2-ylquinolin-7-yl)acetamide.
What is the SMILES notation for N-(8-methoxy-4-thiophen-2-ylquinolin-7-yl)acetamide?
The canonical SMILES for N-(8-methoxy-4-thiophen-2-ylquinolin-7-yl)acetamide is COc1c(NC(C)=O)ccc2c(-c3cccs3)ccnc12.
What is the InChIKey of N-(8-methoxy-4-thiophen-2-ylquinolin-7-yl)acetamide?
The InChIKey is ASXUTVDXYDJKQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2S/c1-10(19)18-13-6-5-12-11(14-4-3-9-21-14)7-8-17-15(12)16(13)20-2/h3-9H,1-2H3,(H,18,19).
What are the key properties of N-(8-methoxy-4-thiophen-2-ylquinolin-7-yl)acetamide?
N-(8-methoxy-4-thiophen-2-ylquinolin-7-yl)acetamide has a molecular weight of 298.37 g/mol, XLogP of 3.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-methoxy-4-thiophen-2-ylquinolin-7-yl)acetamide is sourced from PubChem (CID 155168948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).