2-(furan-2-yl)-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]quinoline-4-carboxamide

C19H16N4O3 — CID 56822225

IUPAC2-(furan-2-yl)-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]quinoline-4-carboxamide
SMILESCc1noc(C(C)NC(=O)c2cc(-c3ccco3)nc3ccccc23)n1
InChIInChI=1S/C19H16N4O3/c1-11(19-21-12(2)23-26-19)20-18(24)14-10-16(17-8-5-9-25-17)22-15-7-4-3-6-13(14)15/h3-11H,1-2H3,(H,20,24)
InChIKeyVNRDBTGKSUWNEK-UHFFFAOYSA-N
MW348.36 g/mol
LogP3.68
Rot. Bonds4

About 2-(furan-2-yl)-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]quinoline-4-carboxamide

2-(furan-2-yl)-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]quinoline-4-carboxamide (PubChem CID 56822225) has the molecular formula C19H16N4O3 and a molecular weight of 348.36 g/mol. Its IUPAC name is 2-(furan-2-yl)-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(furan-2-yl)-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]quinoline-4-carboxamide
PubChem CID56822225
Molecular FormulaC19H16N4O3
Molecular Weight348.36 g/mol
Exact Mass348.12
IUPAC Name2-(furan-2-yl)-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]quinoline-4-carboxamide
SMILESCc1noc(C(C)NC(=O)c2cc(-c3ccco3)nc3ccccc23)n1
InChIInChI=1S/C19H16N4O3/c1-11(19-21-12(2)23-26-19)20-18(24)14-10-16(17-8-5-9-25-17)22-15-7-4-3-6-13(14)15/h3-11H,1-2H3,(H,20,24)
InChIKeyVNRDBTGKSUWNEK-UHFFFAOYSA-N
XLogP3.68
TPSA94.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.36
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(furan-2-yl)-N-[(1R)-1-phenylethyl]quinoline-4-carboxamide
CID 903434
N-butan-2-yl-2-(furan-2-yl)quinoline-4-carboxamide
CID 3637493
N-tert-butyl-2-(furan-2-yl)quinoline-4-carboxamide
CID 3611196
N-(1-amino-3-methyl-1-oxopentan-2-yl)-2-(furan-2-yl)quinoline-4-carboxamide
CID 78773085
N-[(2S)-1-(benzylamino)-1-oxopropan-2-yl]-2-(furan-2-yl)quinoline-4-carboxamide
CID 52505811
N-[(2R)-1-(benzylamino)-1-oxopropan-2-yl]-2-(furan-2-yl)quinoline-4-carboxamide
CID 52505812
2-(furan-2-yl)-N-(2-hydroxypropyl)quinoline-4-carboxamide
CID 78800391
methyl (2R)-2-[[2-(furan-2-yl)quinoline-4-carbonyl]amino]-2-phenylacetate
CID 69058488
2-(furan-2-yl)-N-[4-(2-methylpropanoylamino)phenyl]quinoline-4-carboxamide
CID 134016603
2-(furan-2-yl)-N-[4-(propan-2-ylcarbamoyl)phenyl]quinoline-4-carboxamide
CID 55864663
N-(2,4-dimethylphenyl)-2-(furan-2-yl)quinoline-4-carboxamide
CID 694750
2-(5-methylfuran-2-yl)-N-[(1S)-1-phenylethyl]quinoline-4-carboxamide
CID 1221741

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]quinoline-4-carboxamide?
The IUPAC name of 2-(furan-2-yl)-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]quinoline-4-carboxamide (CID 56822225) is 2-(furan-2-yl)-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]quinoline-4-carboxamide.
What is the SMILES notation for 2-(furan-2-yl)-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]quinoline-4-carboxamide?
The canonical SMILES for 2-(furan-2-yl)-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]quinoline-4-carboxamide is Cc1noc(C(C)NC(=O)c2cc(-c3ccco3)nc3ccccc23)n1.
What is the InChIKey of 2-(furan-2-yl)-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]quinoline-4-carboxamide?
The InChIKey is VNRDBTGKSUWNEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O3/c1-11(19-21-12(2)23-26-19)20-18(24)14-10-16(17-8-5-9-25-17)22-15-7-4-3-6-13(14)15/h3-11H,1-2H3,(H,20,24).
What are the key properties of 2-(furan-2-yl)-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]quinoline-4-carboxamide?
2-(furan-2-yl)-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]quinoline-4-carboxamide has a molecular weight of 348.36 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]quinoline-4-carboxamide is sourced from PubChem (CID 56822225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).