5-[(4-fluorophenoxy)methyl]-N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]furan-2-carboxamide

C23H21FN2O5 — CID 78891960

IUPAC5-[(4-fluorophenoxy)methyl]-N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]furan-2-carboxamide
SMILESO=C1CCc2cc(OCCNC(=O)c3ccc(COc4ccc(F)cc4)o3)ccc2N1
InChIInChI=1S/C23H21FN2O5/c24-16-2-4-17(5-3-16)30-14-19-7-9-21(31-19)23(28)25-11-12-29-18-6-8-20-15(13-18)1-10-22(27)26-20/h2-9,13H,1,10-12,14H2,(H,25,28)(H,26,27)
InChIKeyBYTYJJYOEFGJHD-UHFFFAOYSA-N
MW424.43 g/mol
LogP3.69
Rot. Bonds8

About 5-[(4-fluorophenoxy)methyl]-N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]furan-2-carboxamide

5-[(4-fluorophenoxy)methyl]-N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]furan-2-carboxamide (PubChem CID 78891960) has the molecular formula C23H21FN2O5 and a molecular weight of 424.43 g/mol. Its IUPAC name is 5-[(4-fluorophenoxy)methyl]-N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-[(4-fluorophenoxy)methyl]-N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]furan-2-carboxamide
PubChem CID78891960
Molecular FormulaC23H21FN2O5
Molecular Weight424.43 g/mol
Exact Mass424.14
IUPAC Name5-[(4-fluorophenoxy)methyl]-N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]furan-2-carboxamide
SMILESO=C1CCc2cc(OCCNC(=O)c3ccc(COc4ccc(F)cc4)o3)ccc2N1
InChIInChI=1S/C23H21FN2O5/c24-16-2-4-17(5-3-16)30-14-19-7-9-21(31-19)23(28)25-11-12-29-18-6-8-20-15(13-18)1-10-22(27)26-20/h2-9,13H,1,10-12,14H2,(H,25,28)(H,26,27)
InChIKeyBYTYJJYOEFGJHD-UHFFFAOYSA-N
XLogP3.69
TPSA89.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.43
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]-4-(phenoxymethyl)benzamide
CID 78891643
2-[(4-fluorophenyl)methoxy]-N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]benzamide
CID 78891950
3-bromo-5-fluoro-N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]benzamide
CID 78891632
5-(4-fluorophenyl)-N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]thiophene-2-carboxamide
CID 78891974
1-[2-(4-fluorophenyl)ethyl]-2-methyl-3-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]guanidine;hydroiodide
CID 111230362
N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]-4-pentoxybenzamide
CID 78891688
N-[4-(4-fluorophenoxy)butyl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide
CID 33109872
3-fluoro-4-methoxy-N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]benzamide
CID 78891709
1-(4-fluorophenyl)-3,5-dimethyl-N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]pyrazole-4-carboxamide
CID 78902280
4-methoxy-N-[2-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)oxy]ethyl]benzamide
CID 172880287
5-[(4-fluorophenoxy)methyl]-N-[2-(4-methoxyphenyl)ethyl]furan-2-carboxamide
CID 55344956
3-(4-tert-butylphenyl)-N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]propanamide
CID 78891707

Frequently Asked Questions

What is the IUPAC name of 5-[(4-fluorophenoxy)methyl]-N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]furan-2-carboxamide?
The IUPAC name of 5-[(4-fluorophenoxy)methyl]-N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]furan-2-carboxamide (CID 78891960) is 5-[(4-fluorophenoxy)methyl]-N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]furan-2-carboxamide.
What is the SMILES notation for 5-[(4-fluorophenoxy)methyl]-N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]furan-2-carboxamide?
The canonical SMILES for 5-[(4-fluorophenoxy)methyl]-N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]furan-2-carboxamide is O=C1CCc2cc(OCCNC(=O)c3ccc(COc4ccc(F)cc4)o3)ccc2N1.
What is the InChIKey of 5-[(4-fluorophenoxy)methyl]-N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]furan-2-carboxamide?
The InChIKey is BYTYJJYOEFGJHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN2O5/c24-16-2-4-17(5-3-16)30-14-19-7-9-21(31-19)23(28)25-11-12-29-18-6-8-20-15(13-18)1-10-22(27)26-20/h2-9,13H,1,10-12,14H2,(H,25,28)(H,26,27).
What are the key properties of 5-[(4-fluorophenoxy)methyl]-N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]furan-2-carboxamide?
5-[(4-fluorophenoxy)methyl]-N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]furan-2-carboxamide has a molecular weight of 424.43 g/mol, XLogP of 3.69, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-fluorophenoxy)methyl]-N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]furan-2-carboxamide is sourced from PubChem (CID 78891960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).