N-[(5-methylfuran-2-yl)methyl]-4-(1-methyl-2-oxoquinolin-4-yl)oxybutanamide

C20H22N2O4 — CID 3244647

IUPACN-[(5-methylfuran-2-yl)methyl]-4-(1-methyl-2-oxoquinolin-4-yl)oxybutanamide
SMILESCc1ccc(CNC(=O)CCCOc2cc(=O)n(C)c3ccccc23)o1
InChIInChI=1S/C20H22N2O4/c1-14-9-10-15(26-14)13-21-19(23)8-5-11-25-18-12-20(24)22(2)17-7-4-3-6-16(17)18/h3-4,6-7,9-10,12H,5,8,11,13H2,1-2H3,(H,21,23)
InChIKeyTXPDPZAZCHGKMB-UHFFFAOYSA-N
MW354.41 g/mol
LogP2.92
Rot. Bonds7

About N-[(5-methylfuran-2-yl)methyl]-4-(1-methyl-2-oxoquinolin-4-yl)oxybutanamide

N-[(5-methylfuran-2-yl)methyl]-4-(1-methyl-2-oxoquinolin-4-yl)oxybutanamide (PubChem CID 3244647) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is N-[(5-methylfuran-2-yl)methyl]-4-(1-methyl-2-oxoquinolin-4-yl)oxybutanamide.

Molecular Properties

Compound NameN-[(5-methylfuran-2-yl)methyl]-4-(1-methyl-2-oxoquinolin-4-yl)oxybutanamide
PubChem CID3244647
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC NameN-[(5-methylfuran-2-yl)methyl]-4-(1-methyl-2-oxoquinolin-4-yl)oxybutanamide
SMILESCc1ccc(CNC(=O)CCCOc2cc(=O)n(C)c3ccccc23)o1
InChIInChI=1S/C20H22N2O4/c1-14-9-10-15(26-14)13-21-19(23)8-5-11-25-18-12-20(24)22(2)17-7-4-3-6-16(17)18/h3-4,6-7,9-10,12H,5,8,11,13H2,1-2H3,(H,21,23)
InChIKeyTXPDPZAZCHGKMB-UHFFFAOYSA-N
XLogP2.92
TPSA73.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 52.92
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-[(5-methylfuran-2-yl)methyl]-4-(1-methyl-2-oxoquinolin-4-yl)oxybutanamide?
The IUPAC name of N-[(5-methylfuran-2-yl)methyl]-4-(1-methyl-2-oxoquinolin-4-yl)oxybutanamide (CID 3244647) is N-[(5-methylfuran-2-yl)methyl]-4-(1-methyl-2-oxoquinolin-4-yl)oxybutanamide.
What is the SMILES notation for N-[(5-methylfuran-2-yl)methyl]-4-(1-methyl-2-oxoquinolin-4-yl)oxybutanamide?
The canonical SMILES for N-[(5-methylfuran-2-yl)methyl]-4-(1-methyl-2-oxoquinolin-4-yl)oxybutanamide is Cc1ccc(CNC(=O)CCCOc2cc(=O)n(C)c3ccccc23)o1.
What is the InChIKey of N-[(5-methylfuran-2-yl)methyl]-4-(1-methyl-2-oxoquinolin-4-yl)oxybutanamide?
The InChIKey is TXPDPZAZCHGKMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4/c1-14-9-10-15(26-14)13-21-19(23)8-5-11-25-18-12-20(24)22(2)17-7-4-3-6-16(17)18/h3-4,6-7,9-10,12H,5,8,11,13H2,1-2H3,(H,21,23).
What are the key properties of N-[(5-methylfuran-2-yl)methyl]-4-(1-methyl-2-oxoquinolin-4-yl)oxybutanamide?
N-[(5-methylfuran-2-yl)methyl]-4-(1-methyl-2-oxoquinolin-4-yl)oxybutanamide has a molecular weight of 354.41 g/mol, XLogP of 2.92, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methylfuran-2-yl)methyl]-4-(1-methyl-2-oxoquinolin-4-yl)oxybutanamide is sourced from PubChem (CID 3244647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).