5-ethyl-N-(8-methylquinolin-5-yl)furan-2-carboxamide

C17H16N2O2 — CID 46404652

IUPAC5-ethyl-N-(8-methylquinolin-5-yl)furan-2-carboxamide
SMILESCCc1ccc(C(=O)Nc2ccc(C)c3ncccc23)o1
InChIInChI=1S/C17H16N2O2/c1-3-12-7-9-15(21-12)17(20)19-14-8-6-11(2)16-13(14)5-4-10-18-16/h4-10H,3H2,1-2H3,(H,19,20)
InChIKeySITBEIWUCOESEI-UHFFFAOYSA-N
MW280.33 g/mol
LogP3.95
Rot. Bonds3

About 5-ethyl-N-(8-methylquinolin-5-yl)furan-2-carboxamide

5-ethyl-N-(8-methylquinolin-5-yl)furan-2-carboxamide (PubChem CID 46404652) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 5-ethyl-N-(8-methylquinolin-5-yl)furan-2-carboxamide.

Molecular Properties

Compound Name5-ethyl-N-(8-methylquinolin-5-yl)furan-2-carboxamide
PubChem CID46404652
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Name5-ethyl-N-(8-methylquinolin-5-yl)furan-2-carboxamide
SMILESCCc1ccc(C(=O)Nc2ccc(C)c3ncccc23)o1
InChIInChI=1S/C17H16N2O2/c1-3-12-7-9-15(21-12)17(20)19-14-8-6-11(2)16-13(14)5-4-10-18-16/h4-10H,3H2,1-2H3,(H,19,20)
InChIKeySITBEIWUCOESEI-UHFFFAOYSA-N
XLogP3.95
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-(8-methylquinolin-5-yl)furan-2-carboxamide?
The IUPAC name of 5-ethyl-N-(8-methylquinolin-5-yl)furan-2-carboxamide (CID 46404652) is 5-ethyl-N-(8-methylquinolin-5-yl)furan-2-carboxamide.
What is the SMILES notation for 5-ethyl-N-(8-methylquinolin-5-yl)furan-2-carboxamide?
The canonical SMILES for 5-ethyl-N-(8-methylquinolin-5-yl)furan-2-carboxamide is CCc1ccc(C(=O)Nc2ccc(C)c3ncccc23)o1.
What is the InChIKey of 5-ethyl-N-(8-methylquinolin-5-yl)furan-2-carboxamide?
The InChIKey is SITBEIWUCOESEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-3-12-7-9-15(21-12)17(20)19-14-8-6-11(2)16-13(14)5-4-10-18-16/h4-10H,3H2,1-2H3,(H,19,20).
What are the key properties of 5-ethyl-N-(8-methylquinolin-5-yl)furan-2-carboxamide?
5-ethyl-N-(8-methylquinolin-5-yl)furan-2-carboxamide has a molecular weight of 280.33 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-(8-methylquinolin-5-yl)furan-2-carboxamide is sourced from PubChem (CID 46404652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).