8-ethyl-N-(furan-2-ylmethyl)-4-oxo-1H-quinoline-3-carboxamide

C17H16N2O3 — CID 3217744

IUPAC8-ethyl-N-(furan-2-ylmethyl)-4-oxo-1H-quinoline-3-carboxamide
SMILESCCc1cccc2c(=O)c(C(=O)NCc3ccco3)c[nH]c12
InChIInChI=1S/C17H16N2O3/c1-2-11-5-3-7-13-15(11)18-10-14(16(13)20)17(21)19-9-12-6-4-8-22-12/h3-8,10H,2,9H2,1H3,(H,18,20)(H,19,21)
InChIKeyFCFFUPVHJAOZDZ-UHFFFAOYSA-N
MW296.33 g/mol
LogP2.61
Rot. Bonds4

About 8-ethyl-N-(furan-2-ylmethyl)-4-oxo-1H-quinoline-3-carboxamide

8-ethyl-N-(furan-2-ylmethyl)-4-oxo-1H-quinoline-3-carboxamide (PubChem CID 3217744) has the molecular formula C17H16N2O3 and a molecular weight of 296.33 g/mol. Its IUPAC name is 8-ethyl-N-(furan-2-ylmethyl)-4-oxo-1H-quinoline-3-carboxamide.

Molecular Properties

Compound Name8-ethyl-N-(furan-2-ylmethyl)-4-oxo-1H-quinoline-3-carboxamide
PubChem CID3217744
Molecular FormulaC17H16N2O3
Molecular Weight296.33 g/mol
Exact Mass296.12
IUPAC Name8-ethyl-N-(furan-2-ylmethyl)-4-oxo-1H-quinoline-3-carboxamide
SMILESCCc1cccc2c(=O)c(C(=O)NCc3ccco3)c[nH]c12
InChIInChI=1S/C17H16N2O3/c1-2-11-5-3-7-13-15(11)18-10-14(16(13)20)17(21)19-9-12-6-4-8-22-12/h3-8,10H,2,9H2,1H3,(H,18,20)(H,19,21)
InChIKeyFCFFUPVHJAOZDZ-UHFFFAOYSA-N
XLogP2.61
TPSA75.10 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 8-ethyl-N-(furan-2-ylmethyl)-4-oxo-1H-quinoline-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-ethyl-N-(furan-2-ylmethyl)-4-oxo-1H-quinoline-3-carboxamide?
The IUPAC name of 8-ethyl-N-(furan-2-ylmethyl)-4-oxo-1H-quinoline-3-carboxamide (CID 3217744) is 8-ethyl-N-(furan-2-ylmethyl)-4-oxo-1H-quinoline-3-carboxamide.
What is the SMILES notation for 8-ethyl-N-(furan-2-ylmethyl)-4-oxo-1H-quinoline-3-carboxamide?
The canonical SMILES for 8-ethyl-N-(furan-2-ylmethyl)-4-oxo-1H-quinoline-3-carboxamide is CCc1cccc2c(=O)c(C(=O)NCc3ccco3)c[nH]c12.
What is the InChIKey of 8-ethyl-N-(furan-2-ylmethyl)-4-oxo-1H-quinoline-3-carboxamide?
The InChIKey is FCFFUPVHJAOZDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3/c1-2-11-5-3-7-13-15(11)18-10-14(16(13)20)17(21)19-9-12-6-4-8-22-12/h3-8,10H,2,9H2,1H3,(H,18,20)(H,19,21).
What are the key properties of 8-ethyl-N-(furan-2-ylmethyl)-4-oxo-1H-quinoline-3-carboxamide?
8-ethyl-N-(furan-2-ylmethyl)-4-oxo-1H-quinoline-3-carboxamide has a molecular weight of 296.33 g/mol, XLogP of 2.61, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-N-(furan-2-ylmethyl)-4-oxo-1H-quinoline-3-carboxamide is sourced from PubChem (CID 3217744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).