2-[6-[(4-fluorophenyl)methoxy]-3-oxo-1,4-dihydroisoquinolin-2-yl]propanamide

C19H19FN2O3 — CID 22641922

IUPAC2-[6-[(4-fluorophenyl)methoxy]-3-oxo-1,4-dihydroisoquinolin-2-yl]propanamide
SMILESCC(C(N)=O)N1Cc2ccc(OCc3ccc(F)cc3)cc2CC1=O
InChIInChI=1S/C19H19FN2O3/c1-12(19(21)24)22-10-14-4-7-17(8-15(14)9-18(22)23)25-11-13-2-5-16(20)6-3-13/h2-8,12H,9-11H2,1H3,(H2,21,24)
InChIKeyYJHFSZSLBMKELL-UHFFFAOYSA-N
MW342.37 g/mol
LogP2.16
Rot. Bonds5

About 2-[6-[(4-fluorophenyl)methoxy]-3-oxo-1,4-dihydroisoquinolin-2-yl]propanamide

2-[6-[(4-fluorophenyl)methoxy]-3-oxo-1,4-dihydroisoquinolin-2-yl]propanamide (PubChem CID 22641922) has the molecular formula C19H19FN2O3 and a molecular weight of 342.37 g/mol. Its IUPAC name is 2-[6-[(4-fluorophenyl)methoxy]-3-oxo-1,4-dihydroisoquinolin-2-yl]propanamide.

Molecular Properties

Compound Name2-[6-[(4-fluorophenyl)methoxy]-3-oxo-1,4-dihydroisoquinolin-2-yl]propanamide
PubChem CID22641922
Molecular FormulaC19H19FN2O3
Molecular Weight342.37 g/mol
Exact Mass342.14
IUPAC Name2-[6-[(4-fluorophenyl)methoxy]-3-oxo-1,4-dihydroisoquinolin-2-yl]propanamide
SMILESCC(C(N)=O)N1Cc2ccc(OCc3ccc(F)cc3)cc2CC1=O
InChIInChI=1S/C19H19FN2O3/c1-12(19(21)24)22-10-14-4-7-17(8-15(14)9-18(22)23)25-11-13-2-5-16(20)6-3-13/h2-8,12H,9-11H2,1H3,(H2,21,24)
InChIKeyYJHFSZSLBMKELL-UHFFFAOYSA-N
XLogP2.16
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.37
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[6-[(4-fluorophenyl)methoxy]-1-hydroxy-3-oxoisoquinolin-2-yl]propanamide
CID 90692877
ethyl 2-[6-[(4-fluorophenyl)methoxy]-1-oxo-3,4-dihydroisoquinolin-2-yl]propanoate
CID 69035867
(2S)-2-[6-[(3-fluorophenyl)methoxy]-1-oxo-3,4-dihydroisoquinolin-2-yl]propanamide
CID 69038301
2-[6-[(4-fluorophenyl)methoxy]-3-oxo-1H-isoindol-2-yl]acetamide
CID 10018501
2-[7-[(3-fluorophenyl)methoxy]-1,2,4,5-tetrahydro-3-benzazepin-3-yl]propanamide
CID 11302300
2-[5-[(4-fluorophenyl)methoxy]-1,3-dioxoisoindol-2-yl]-3-hydroxypropanamide
CID 22397104
(2R)-2-[5-[(4-fluorophenyl)methoxy]-1,3-dioxoisoindol-2-yl]-3-hydroxypropanamide
CID 135693432
3-[4-[(4-fluorophenyl)methoxy]phenyl]propanamide
CID 91686884
N-[2-[6-[(4-fluorophenyl)methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]-2-oxoethyl]prop-2-enamide
CID 166411516
methyl 2-[4-[(4-fluorophenoxy)methyl]phenoxy]propanoate
CID 54068292
N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 133199284
2-[2-[5-[(4-fluorophenyl)methoxy]-2-iodophenyl]ethylamino]propanamide
CID 22641884

Frequently Asked Questions

What is the IUPAC name of 2-[6-[(4-fluorophenyl)methoxy]-3-oxo-1,4-dihydroisoquinolin-2-yl]propanamide?
The IUPAC name of 2-[6-[(4-fluorophenyl)methoxy]-3-oxo-1,4-dihydroisoquinolin-2-yl]propanamide (CID 22641922) is 2-[6-[(4-fluorophenyl)methoxy]-3-oxo-1,4-dihydroisoquinolin-2-yl]propanamide.
What is the SMILES notation for 2-[6-[(4-fluorophenyl)methoxy]-3-oxo-1,4-dihydroisoquinolin-2-yl]propanamide?
The canonical SMILES for 2-[6-[(4-fluorophenyl)methoxy]-3-oxo-1,4-dihydroisoquinolin-2-yl]propanamide is CC(C(N)=O)N1Cc2ccc(OCc3ccc(F)cc3)cc2CC1=O.
What is the InChIKey of 2-[6-[(4-fluorophenyl)methoxy]-3-oxo-1,4-dihydroisoquinolin-2-yl]propanamide?
The InChIKey is YJHFSZSLBMKELL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O3/c1-12(19(21)24)22-10-14-4-7-17(8-15(14)9-18(22)23)25-11-13-2-5-16(20)6-3-13/h2-8,12H,9-11H2,1H3,(H2,21,24).
What are the key properties of 2-[6-[(4-fluorophenyl)methoxy]-3-oxo-1,4-dihydroisoquinolin-2-yl]propanamide?
2-[6-[(4-fluorophenyl)methoxy]-3-oxo-1,4-dihydroisoquinolin-2-yl]propanamide has a molecular weight of 342.37 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[(4-fluorophenyl)methoxy]-3-oxo-1,4-dihydroisoquinolin-2-yl]propanamide is sourced from PubChem (CID 22641922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).