2-(5-ethylthiophen-2-yl)-N-(furan-2-ylmethyl)quinoline-4-carboxamide

C21H18N2O2S — CID 1261721

IUPAC2-(5-ethylthiophen-2-yl)-N-(furan-2-ylmethyl)quinoline-4-carboxamide
SMILESCCc1ccc(-c2cc(C(=O)NCc3ccco3)c3ccccc3n2)s1
InChIInChI=1S/C21H18N2O2S/c1-2-15-9-10-20(26-15)19-12-17(16-7-3-4-8-18(16)23-19)21(24)22-13-14-6-5-11-25-14/h3-12H,2,13H2,1H3,(H,22,24)
InChIKeyZIAHEDPZUGMZMM-UHFFFAOYSA-N
MW362.45 g/mol
LogP5.05
Rot. Bonds5

About 2-(5-ethylthiophen-2-yl)-N-(furan-2-ylmethyl)quinoline-4-carboxamide

2-(5-ethylthiophen-2-yl)-N-(furan-2-ylmethyl)quinoline-4-carboxamide (PubChem CID 1261721) has the molecular formula C21H18N2O2S and a molecular weight of 362.45 g/mol. Its IUPAC name is 2-(5-ethylthiophen-2-yl)-N-(furan-2-ylmethyl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(5-ethylthiophen-2-yl)-N-(furan-2-ylmethyl)quinoline-4-carboxamide
PubChem CID1261721
Molecular FormulaC21H18N2O2S
Molecular Weight362.45 g/mol
Exact Mass362.11
IUPAC Name2-(5-ethylthiophen-2-yl)-N-(furan-2-ylmethyl)quinoline-4-carboxamide
SMILESCCc1ccc(-c2cc(C(=O)NCc3ccco3)c3ccccc3n2)s1
InChIInChI=1S/C21H18N2O2S/c1-2-15-9-10-20(26-15)19-12-17(16-7-3-4-8-18(16)23-19)21(24)22-13-14-6-5-11-25-14/h3-12H,2,13H2,1H3,(H,22,24)
InChIKeyZIAHEDPZUGMZMM-UHFFFAOYSA-N
XLogP5.05
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.45
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-Amino-N-(2-furanylmethyl)-4,6-dimethylthieno(2,3-b)pyridine-2-carboxamide
CID 734374
N-(furan-2-ylmethyl)-2-(1-propylindol-3-yl)sulfanylacetamide
CID 3240248
6-fluoro-N-(2-furylmethyl)-2-methyl-4-quinolinecarboxamide
CID 826914
N-(furan-2-ylmethyl)-2-methylquinoline-4-carboxamide
CID 2430333
N-(furan-2-ylmethyl)-2-phenylquinoline-4-carboxamide
CID 2188237
N-(furan-2-ylmethyl)-2-(4-methoxyphenyl)quinoline-4-carboxamide
CID 2259442
N-(furan-2-ylmethyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
CID 862194
1-[[4-[(4-fluorophenyl)methyl]-5-thieno[3,2-b]pyrrolyl]-oxomethyl]-N-(2-furanylmethyl)-4-piperidinecarboxamide
CID 3240671
4-chloro-N-[2-(dimethylamino)ethyl]-N-(2-furylmethyl)-8-methylthieno[3,2-c]quinoline-2-carboxamide
CID 6622738
N-(2-furylmethyl)-2-(3-methoxyphenyl)-4-quinolinecarboxamide
CID 2930581
N-(furan-2-ylmethyl)quinoline-2-carboxamide
CID 566063
2-[3-cyano-6-(4-methoxyphenyl)-4-thiophen-2-ylpyridin-2-yl]sulfanyl-N-(furan-2-ylmethyl)acetamide
CID 644742

Frequently Asked Questions

What is the IUPAC name of 2-(5-ethylthiophen-2-yl)-N-(furan-2-ylmethyl)quinoline-4-carboxamide?
The IUPAC name of 2-(5-ethylthiophen-2-yl)-N-(furan-2-ylmethyl)quinoline-4-carboxamide (CID 1261721) is 2-(5-ethylthiophen-2-yl)-N-(furan-2-ylmethyl)quinoline-4-carboxamide.
What is the SMILES notation for 2-(5-ethylthiophen-2-yl)-N-(furan-2-ylmethyl)quinoline-4-carboxamide?
The canonical SMILES for 2-(5-ethylthiophen-2-yl)-N-(furan-2-ylmethyl)quinoline-4-carboxamide is CCc1ccc(-c2cc(C(=O)NCc3ccco3)c3ccccc3n2)s1.
What is the InChIKey of 2-(5-ethylthiophen-2-yl)-N-(furan-2-ylmethyl)quinoline-4-carboxamide?
The InChIKey is ZIAHEDPZUGMZMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O2S/c1-2-15-9-10-20(26-15)19-12-17(16-7-3-4-8-18(16)23-19)21(24)22-13-14-6-5-11-25-14/h3-12H,2,13H2,1H3,(H,22,24).
What are the key properties of 2-(5-ethylthiophen-2-yl)-N-(furan-2-ylmethyl)quinoline-4-carboxamide?
2-(5-ethylthiophen-2-yl)-N-(furan-2-ylmethyl)quinoline-4-carboxamide has a molecular weight of 362.45 g/mol, XLogP of 5.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethylthiophen-2-yl)-N-(furan-2-ylmethyl)quinoline-4-carboxamide is sourced from PubChem (CID 1261721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).