methyl (2R)-2-[3-fluoro-5-[(1-methyl-2-oxoquinolin-6-yl)methoxy]phenyl]-2-methoxybutanoate

C23H24FNO5 — CID 10341647

IUPACmethyl (2R)-2-[3-fluoro-5-[(1-methyl-2-oxoquinolin-6-yl)methoxy]phenyl]-2-methoxybutanoate
SMILESCC[C@](OC)(C(=O)OC)c1cc(F)cc(OCc2ccc3c(ccc(=O)n3C)c2)c1
InChIInChI=1S/C23H24FNO5/c1-5-23(29-4,22(27)28-3)17-11-18(24)13-19(12-17)30-14-15-6-8-20-16(10-15)7-9-21(26)25(20)2/h6-13H,5,14H2,1-4H3/t23-/m1/s1
InChIKeyUZVACIIIMHBSTR-HSZRJFAPSA-N
MW413.45 g/mol
LogP3.68
Rot. Bonds7

About methyl (2R)-2-[3-fluoro-5-[(1-methyl-2-oxoquinolin-6-yl)methoxy]phenyl]-2-methoxybutanoate

methyl (2R)-2-[3-fluoro-5-[(1-methyl-2-oxoquinolin-6-yl)methoxy]phenyl]-2-methoxybutanoate (PubChem CID 10341647) has the molecular formula C23H24FNO5 and a molecular weight of 413.45 g/mol. Its IUPAC name is methyl (2R)-2-[3-fluoro-5-[(1-methyl-2-oxoquinolin-6-yl)methoxy]phenyl]-2-methoxybutanoate.

Molecular Properties

Compound Namemethyl (2R)-2-[3-fluoro-5-[(1-methyl-2-oxoquinolin-6-yl)methoxy]phenyl]-2-methoxybutanoate
PubChem CID10341647
Molecular FormulaC23H24FNO5
Molecular Weight413.45 g/mol
Exact Mass413.16
IUPAC Namemethyl (2R)-2-[3-fluoro-5-[(1-methyl-2-oxoquinolin-6-yl)methoxy]phenyl]-2-methoxybutanoate
SMILESCC[C@](OC)(C(=O)OC)c1cc(F)cc(OCc2ccc3c(ccc(=O)n3C)c2)c1
InChIInChI=1S/C23H24FNO5/c1-5-23(29-4,22(27)28-3)17-11-18(24)13-19(12-17)30-14-15-6-8-20-16(10-15)7-9-21(26)25(20)2/h6-13H,5,14H2,1-4H3/t23-/m1/s1
InChIKeyUZVACIIIMHBSTR-HSZRJFAPSA-N
XLogP3.68
TPSA66.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.45
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-[3-fluoro-5-[(1-methyl-2-oxoquinolin-6-yl)methoxy]phenyl]-2-methoxybutanoate?
The IUPAC name of methyl (2R)-2-[3-fluoro-5-[(1-methyl-2-oxoquinolin-6-yl)methoxy]phenyl]-2-methoxybutanoate (CID 10341647) is methyl (2R)-2-[3-fluoro-5-[(1-methyl-2-oxoquinolin-6-yl)methoxy]phenyl]-2-methoxybutanoate.
What is the SMILES notation for methyl (2R)-2-[3-fluoro-5-[(1-methyl-2-oxoquinolin-6-yl)methoxy]phenyl]-2-methoxybutanoate?
The canonical SMILES for methyl (2R)-2-[3-fluoro-5-[(1-methyl-2-oxoquinolin-6-yl)methoxy]phenyl]-2-methoxybutanoate is CC[C@](OC)(C(=O)OC)c1cc(F)cc(OCc2ccc3c(ccc(=O)n3C)c2)c1.
What is the InChIKey of methyl (2R)-2-[3-fluoro-5-[(1-methyl-2-oxoquinolin-6-yl)methoxy]phenyl]-2-methoxybutanoate?
The InChIKey is UZVACIIIMHBSTR-HSZRJFAPSA-N. The full InChI is InChI=1S/C23H24FNO5/c1-5-23(29-4,22(27)28-3)17-11-18(24)13-19(12-17)30-14-15-6-8-20-16(10-15)7-9-21(26)25(20)2/h6-13H,5,14H2,1-4H3/t23-/m1/s1.
What are the key properties of methyl (2R)-2-[3-fluoro-5-[(1-methyl-2-oxoquinolin-6-yl)methoxy]phenyl]-2-methoxybutanoate?
methyl (2R)-2-[3-fluoro-5-[(1-methyl-2-oxoquinolin-6-yl)methoxy]phenyl]-2-methoxybutanoate has a molecular weight of 413.45 g/mol, XLogP of 3.68, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-[3-fluoro-5-[(1-methyl-2-oxoquinolin-6-yl)methoxy]phenyl]-2-methoxybutanoate is sourced from PubChem (CID 10341647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).