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

C20H16N2O2S — CID 2165595

IUPACN-(furan-2-ylmethyl)-2-(5-methylthiophen-2-yl)quinoline-4-carboxamide
SMILESCc1ccc(-c2cc(C(=O)NCc3ccco3)c3ccccc3n2)s1
InChIInChI=1S/C20H16N2O2S/c1-13-8-9-19(25-13)18-11-16(15-6-2-3-7-17(15)22-18)20(23)21-12-14-5-4-10-24-14/h2-11H,12H2,1H3,(H,21,23)
InChIKeyNKKCXBGEIIUTCG-UHFFFAOYSA-N
MW348.43 g/mol
LogP4.79
Rot. Bonds4

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

N-(furan-2-ylmethyl)-2-(5-methylthiophen-2-yl)quinoline-4-carboxamide (PubChem CID 2165595) has the molecular formula C20H16N2O2S and a molecular weight of 348.43 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-(5-methylthiophen-2-yl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-(5-methylthiophen-2-yl)quinoline-4-carboxamide
PubChem CID2165595
Molecular FormulaC20H16N2O2S
Molecular Weight348.43 g/mol
Exact Mass348.09
IUPAC NameN-(furan-2-ylmethyl)-2-(5-methylthiophen-2-yl)quinoline-4-carboxamide
SMILESCc1ccc(-c2cc(C(=O)NCc3ccco3)c3ccccc3n2)s1
InChIInChI=1S/C20H16N2O2S/c1-13-8-9-19(25-13)18-11-16(15-6-2-3-7-17(15)22-18)20(23)21-12-14-5-4-10-24-14/h2-11H,12H2,1H3,(H,21,23)
InChIKeyNKKCXBGEIIUTCG-UHFFFAOYSA-N
XLogP4.79
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-(5-methylthiophen-2-yl)quinoline-4-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-(5-methylthiophen-2-yl)quinoline-4-carboxamide (CID 2165595) is N-(furan-2-ylmethyl)-2-(5-methylthiophen-2-yl)quinoline-4-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-(5-methylthiophen-2-yl)quinoline-4-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-(5-methylthiophen-2-yl)quinoline-4-carboxamide is Cc1ccc(-c2cc(C(=O)NCc3ccco3)c3ccccc3n2)s1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-(5-methylthiophen-2-yl)quinoline-4-carboxamide?
The InChIKey is NKKCXBGEIIUTCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O2S/c1-13-8-9-19(25-13)18-11-16(15-6-2-3-7-17(15)22-18)20(23)21-12-14-5-4-10-24-14/h2-11H,12H2,1H3,(H,21,23).
What are the key properties of N-(furan-2-ylmethyl)-2-(5-methylthiophen-2-yl)quinoline-4-carboxamide?
N-(furan-2-ylmethyl)-2-(5-methylthiophen-2-yl)quinoline-4-carboxamide has a molecular weight of 348.43 g/mol, XLogP of 4.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-(5-methylthiophen-2-yl)quinoline-4-carboxamide is sourced from PubChem (CID 2165595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).