N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)quinoline-2-carboxamide

C20H16N2O2S — CID 2444224

IUPACN-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)quinoline-2-carboxamide
SMILESO=C(c1ccc2ccccc2n1)N(Cc1ccco1)Cc1cccs1
InChIInChI=1S/C20H16N2O2S/c23-20(19-10-9-15-5-1-2-8-18(15)21-19)22(13-16-6-3-11-24-16)14-17-7-4-12-25-17/h1-12H,13-14H2
InChIKeyJQLRDCAHBVQDCV-UHFFFAOYSA-N
MW348.43 g/mol
LogP4.73
Rot. Bonds5

About N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)quinoline-2-carboxamide

N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)quinoline-2-carboxamide (PubChem CID 2444224) has the molecular formula C20H16N2O2S and a molecular weight of 348.43 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)quinoline-2-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)quinoline-2-carboxamide
PubChem CID2444224
Molecular FormulaC20H16N2O2S
Molecular Weight348.43 g/mol
Exact Mass348.09
IUPAC NameN-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)quinoline-2-carboxamide
SMILESO=C(c1ccc2ccccc2n1)N(Cc1ccco1)Cc1cccs1
InChIInChI=1S/C20H16N2O2S/c23-20(19-10-9-15-5-1-2-8-18(15)21-19)22(13-16-6-3-11-24-16)14-17-7-4-12-25-17/h1-12H,13-14H2
InChIKeyJQLRDCAHBVQDCV-UHFFFAOYSA-N
XLogP4.73
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-butyl-N-(thiophen-2-ylmethyl)quinoline-2-carboxamide
CID 3772105
2-(furan-2-yl)-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 31836479
N-(furan-2-ylmethyl)-5-phenyl-N-(thiophen-2-ylmethyl)-1,2-oxazole-3-carboxamide
CID 31835199
N-(furan-2-ylmethyl)-6-oxo-1-phenyl-N-(thiophen-2-ylmethyl)pyridazine-3-carboxamide
CID 31836968
2-fluoro-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzamide
CID 78789331
N-(furan-2-ylmethyl)-3-methyl-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide
CID 78789091
3,5-dichloro-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzamide
CID 24529398
N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)propanamide
CID 60644710
N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)-1,3-benzothiazole-6-carboxamide
CID 18121711
1-(furan-2-ylmethyl)-3-prop-2-enyl-1-(thiophen-2-ylmethyl)urea
CID 27718189
N,N-bis(furan-2-ylmethyl)thiophene-2-carboxamide
CID 52548112
3-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]-3-oxopropanoic acid
CID 62232437

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)quinoline-2-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)quinoline-2-carboxamide (CID 2444224) is N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)quinoline-2-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)quinoline-2-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)quinoline-2-carboxamide is O=C(c1ccc2ccccc2n1)N(Cc1ccco1)Cc1cccs1.
What is the InChIKey of N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)quinoline-2-carboxamide?
The InChIKey is JQLRDCAHBVQDCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O2S/c23-20(19-10-9-15-5-1-2-8-18(15)21-19)22(13-16-6-3-11-24-16)14-17-7-4-12-25-17/h1-12H,13-14H2.
What are the key properties of N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)quinoline-2-carboxamide?
N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)quinoline-2-carboxamide has a molecular weight of 348.43 g/mol, XLogP of 4.73, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)quinoline-2-carboxamide is sourced from PubChem (CID 2444224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).