N-(furan-2-ylmethyl)-4-(1-methyl-2-oxoquinolin-4-yl)oxybutanamide

C19H20N2O4 — CID 3237343

IUPACN-(furan-2-ylmethyl)-4-(1-methyl-2-oxoquinolin-4-yl)oxybutanamide
SMILESCn1c(=O)cc(OCCCC(=O)NCc2ccco2)c2ccccc21
InChIInChI=1S/C19H20N2O4/c1-21-16-8-3-2-7-15(16)17(12-19(21)23)25-11-5-9-18(22)20-13-14-6-4-10-24-14/h2-4,6-8,10,12H,5,9,11,13H2,1H3,(H,20,22)
InChIKeyGTPANMILXRWPEK-UHFFFAOYSA-N
MW340.38 g/mol
LogP2.61
Rot. Bonds7

About N-(furan-2-ylmethyl)-4-(1-methyl-2-oxoquinolin-4-yl)oxybutanamide

N-(furan-2-ylmethyl)-4-(1-methyl-2-oxoquinolin-4-yl)oxybutanamide (PubChem CID 3237343) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-4-(1-methyl-2-oxoquinolin-4-yl)oxybutanamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-4-(1-methyl-2-oxoquinolin-4-yl)oxybutanamide
PubChem CID3237343
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC NameN-(furan-2-ylmethyl)-4-(1-methyl-2-oxoquinolin-4-yl)oxybutanamide
SMILESCn1c(=O)cc(OCCCC(=O)NCc2ccco2)c2ccccc21
InChIInChI=1S/C19H20N2O4/c1-21-16-8-3-2-7-15(16)17(12-19(21)23)25-11-5-9-18(22)20-13-14-6-4-10-24-14/h2-4,6-8,10,12H,5,9,11,13H2,1H3,(H,20,22)
InChIKeyGTPANMILXRWPEK-UHFFFAOYSA-N
XLogP2.61
TPSA73.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-4-(1-methyl-2-oxoquinolin-4-yl)oxybutanamide?
The IUPAC name of N-(furan-2-ylmethyl)-4-(1-methyl-2-oxoquinolin-4-yl)oxybutanamide (CID 3237343) is N-(furan-2-ylmethyl)-4-(1-methyl-2-oxoquinolin-4-yl)oxybutanamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-4-(1-methyl-2-oxoquinolin-4-yl)oxybutanamide?
The canonical SMILES for N-(furan-2-ylmethyl)-4-(1-methyl-2-oxoquinolin-4-yl)oxybutanamide is Cn1c(=O)cc(OCCCC(=O)NCc2ccco2)c2ccccc21.
What is the InChIKey of N-(furan-2-ylmethyl)-4-(1-methyl-2-oxoquinolin-4-yl)oxybutanamide?
The InChIKey is GTPANMILXRWPEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4/c1-21-16-8-3-2-7-15(16)17(12-19(21)23)25-11-5-9-18(22)20-13-14-6-4-10-24-14/h2-4,6-8,10,12H,5,9,11,13H2,1H3,(H,20,22).
What are the key properties of N-(furan-2-ylmethyl)-4-(1-methyl-2-oxoquinolin-4-yl)oxybutanamide?
N-(furan-2-ylmethyl)-4-(1-methyl-2-oxoquinolin-4-yl)oxybutanamide has a molecular weight of 340.38 g/mol, XLogP of 2.61, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-4-(1-methyl-2-oxoquinolin-4-yl)oxybutanamide is sourced from PubChem (CID 3237343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).