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

C21H21FN2O3 — CID 20862036

IUPACN-[(4-fluorophenyl)methyl]-4-(1-methyl-2-oxoquinolin-4-yl)oxybutanamide
SMILESCn1c(=O)cc(OCCCC(=O)NCc2ccc(F)cc2)c2ccccc21
InChIInChI=1S/C21H21FN2O3/c1-24-18-6-3-2-5-17(18)19(13-21(24)26)27-12-4-7-20(25)23-14-15-8-10-16(22)11-9-15/h2-3,5-6,8-11,13H,4,7,12,14H2,1H3,(H,23,25)
InChIKeyUTOPSKABWAMYLK-UHFFFAOYSA-N
MW368.41 g/mol
LogP3.15
Rot. Bonds7

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

N-[(4-fluorophenyl)methyl]-4-(1-methyl-2-oxoquinolin-4-yl)oxybutanamide (PubChem CID 20862036) has the molecular formula C21H21FN2O3 and a molecular weight of 368.41 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-4-(1-methyl-2-oxoquinolin-4-yl)oxybutanamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-4-(1-methyl-2-oxoquinolin-4-yl)oxybutanamide
PubChem CID20862036
Molecular FormulaC21H21FN2O3
Molecular Weight368.41 g/mol
Exact Mass368.15
IUPAC NameN-[(4-fluorophenyl)methyl]-4-(1-methyl-2-oxoquinolin-4-yl)oxybutanamide
SMILESCn1c(=O)cc(OCCCC(=O)NCc2ccc(F)cc2)c2ccccc21
InChIInChI=1S/C21H21FN2O3/c1-24-18-6-3-2-5-17(18)19(13-21(24)26)27-12-4-7-20(25)23-14-15-8-10-16(22)11-9-15/h2-3,5-6,8-11,13H,4,7,12,14H2,1H3,(H,23,25)
InChIKeyUTOPSKABWAMYLK-UHFFFAOYSA-N
XLogP3.15
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.41
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[(4-fluorophenyl)methyl]-4-(1-methyl-2-oxoquinolin-4-yl)oxybutanamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-4-(1-methyl-2-oxoquinolin-4-yl)oxybutanamide (CID 20862036) is N-[(4-fluorophenyl)methyl]-4-(1-methyl-2-oxoquinolin-4-yl)oxybutanamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-4-(1-methyl-2-oxoquinolin-4-yl)oxybutanamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-4-(1-methyl-2-oxoquinolin-4-yl)oxybutanamide is Cn1c(=O)cc(OCCCC(=O)NCc2ccc(F)cc2)c2ccccc21.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-4-(1-methyl-2-oxoquinolin-4-yl)oxybutanamide?
The InChIKey is UTOPSKABWAMYLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN2O3/c1-24-18-6-3-2-5-17(18)19(13-21(24)26)27-12-4-7-20(25)23-14-15-8-10-16(22)11-9-15/h2-3,5-6,8-11,13H,4,7,12,14H2,1H3,(H,23,25).
What are the key properties of N-[(4-fluorophenyl)methyl]-4-(1-methyl-2-oxoquinolin-4-yl)oxybutanamide?
N-[(4-fluorophenyl)methyl]-4-(1-methyl-2-oxoquinolin-4-yl)oxybutanamide has a molecular weight of 368.41 g/mol, XLogP of 3.15, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-4-(1-methyl-2-oxoquinolin-4-yl)oxybutanamide is sourced from PubChem (CID 20862036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).