N-(furan-2-ylmethyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]thiophene-2-carboxamide

C20H16N2O3S — CID 666545

IUPACN-(furan-2-ylmethyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]thiophene-2-carboxamide
SMILESO=C(c1cccs1)N(Cc1ccco1)Cc1cc2ccccc2[nH]c1=O
InChIInChI=1S/C20H16N2O3S/c23-19-15(11-14-5-1-2-7-17(14)21-19)12-22(13-16-6-3-9-25-16)20(24)18-8-4-10-26-18/h1-11H,12-13H2,(H,21,23)
InChIKeyYZDSQJCYHZGLBR-UHFFFAOYSA-N
MW364.43 g/mol
LogP4.03
Rot. Bonds5

About N-(furan-2-ylmethyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]thiophene-2-carboxamide

N-(furan-2-ylmethyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]thiophene-2-carboxamide (PubChem CID 666545) has the molecular formula C20H16N2O3S and a molecular weight of 364.43 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]thiophene-2-carboxamide
PubChem CID666545
Molecular FormulaC20H16N2O3S
Molecular Weight364.43 g/mol
Exact Mass364.09
IUPAC NameN-(furan-2-ylmethyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]thiophene-2-carboxamide
SMILESO=C(c1cccs1)N(Cc1ccco1)Cc1cc2ccccc2[nH]c1=O
InChIInChI=1S/C20H16N2O3S/c23-19-15(11-14-5-1-2-7-17(14)21-19)12-22(13-16-6-3-9-25-16)20(24)18-8-4-10-26-18/h1-11H,12-13H2,(H,21,23)
InChIKeyYZDSQJCYHZGLBR-UHFFFAOYSA-N
XLogP4.03
TPSA66.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 54.03
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)-N-[(2-oxo-1H-quinolin-3-yl)methyl]thiophene-2-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]thiophene-2-carboxamide (CID 666545) is N-(furan-2-ylmethyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]thiophene-2-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]thiophene-2-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]thiophene-2-carboxamide is O=C(c1cccs1)N(Cc1ccco1)Cc1cc2ccccc2[nH]c1=O.
What is the InChIKey of N-(furan-2-ylmethyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]thiophene-2-carboxamide?
The InChIKey is YZDSQJCYHZGLBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O3S/c23-19-15(11-14-5-1-2-7-17(14)21-19)12-22(13-16-6-3-9-25-16)20(24)18-8-4-10-26-18/h1-11H,12-13H2,(H,21,23).
What are the key properties of N-(furan-2-ylmethyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]thiophene-2-carboxamide?
N-(furan-2-ylmethyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]thiophene-2-carboxamide has a molecular weight of 364.43 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 666545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).