(2R)-2-[6-[(4-fluorophenyl)methoxy]-1-hydroxy-3-oxoisoquinolin-2-yl]propanamide

C19H17FN2O4 — CID 90692877

IUPAC(2R)-2-[6-[(4-fluorophenyl)methoxy]-1-hydroxy-3-oxoisoquinolin-2-yl]propanamide
SMILESC[C@H](C(N)=O)n1c(O)c2ccc(OCc3ccc(F)cc3)cc2cc1=O
InChIInChI=1S/C19H17FN2O4/c1-11(18(21)24)22-17(23)9-13-8-15(6-7-16(13)19(22)25)26-10-12-2-4-14(20)5-3-12/h2-9,11,25H,10H2,1H3,(H2,21,24)/t11-/m1/s1
InChIKeyPTAHWEOXUJTKPU-LLVKDONJSA-N
MW356.35 g/mol
LogP2.47
Rot. Bonds5

About (2R)-2-[6-[(4-fluorophenyl)methoxy]-1-hydroxy-3-oxoisoquinolin-2-yl]propanamide

(2R)-2-[6-[(4-fluorophenyl)methoxy]-1-hydroxy-3-oxoisoquinolin-2-yl]propanamide (PubChem CID 90692877) has the molecular formula C19H17FN2O4 and a molecular weight of 356.35 g/mol. Its IUPAC name is (2R)-2-[6-[(4-fluorophenyl)methoxy]-1-hydroxy-3-oxoisoquinolin-2-yl]propanamide.

Molecular Properties

Compound Name(2R)-2-[6-[(4-fluorophenyl)methoxy]-1-hydroxy-3-oxoisoquinolin-2-yl]propanamide
PubChem CID90692877
Molecular FormulaC19H17FN2O4
Molecular Weight356.35 g/mol
Exact Mass356.12
IUPAC Name(2R)-2-[6-[(4-fluorophenyl)methoxy]-1-hydroxy-3-oxoisoquinolin-2-yl]propanamide
SMILESC[C@H](C(N)=O)n1c(O)c2ccc(OCc3ccc(F)cc3)cc2cc1=O
InChIInChI=1S/C19H17FN2O4/c1-11(18(21)24)22-17(23)9-13-8-15(6-7-16(13)19(22)25)26-10-12-2-4-14(20)5-3-12/h2-9,11,25H,10H2,1H3,(H2,21,24)/t11-/m1/s1
InChIKeyPTAHWEOXUJTKPU-LLVKDONJSA-N
XLogP2.47
TPSA94.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.35
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[6-[(4-fluorophenyl)methoxy]-1-hydroxy-3-oxoisoquinolin-2-yl]propanamide?
The IUPAC name of (2R)-2-[6-[(4-fluorophenyl)methoxy]-1-hydroxy-3-oxoisoquinolin-2-yl]propanamide (CID 90692877) is (2R)-2-[6-[(4-fluorophenyl)methoxy]-1-hydroxy-3-oxoisoquinolin-2-yl]propanamide.
What is the SMILES notation for (2R)-2-[6-[(4-fluorophenyl)methoxy]-1-hydroxy-3-oxoisoquinolin-2-yl]propanamide?
The canonical SMILES for (2R)-2-[6-[(4-fluorophenyl)methoxy]-1-hydroxy-3-oxoisoquinolin-2-yl]propanamide is C[C@H](C(N)=O)n1c(O)c2ccc(OCc3ccc(F)cc3)cc2cc1=O.
What is the InChIKey of (2R)-2-[6-[(4-fluorophenyl)methoxy]-1-hydroxy-3-oxoisoquinolin-2-yl]propanamide?
The InChIKey is PTAHWEOXUJTKPU-LLVKDONJSA-N. The full InChI is InChI=1S/C19H17FN2O4/c1-11(18(21)24)22-17(23)9-13-8-15(6-7-16(13)19(22)25)26-10-12-2-4-14(20)5-3-12/h2-9,11,25H,10H2,1H3,(H2,21,24)/t11-/m1/s1.
What are the key properties of (2R)-2-[6-[(4-fluorophenyl)methoxy]-1-hydroxy-3-oxoisoquinolin-2-yl]propanamide?
(2R)-2-[6-[(4-fluorophenyl)methoxy]-1-hydroxy-3-oxoisoquinolin-2-yl]propanamide has a molecular weight of 356.35 g/mol, XLogP of 2.47, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[6-[(4-fluorophenyl)methoxy]-1-hydroxy-3-oxoisoquinolin-2-yl]propanamide is sourced from PubChem (CID 90692877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).