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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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).