2-[4-[[8-[3-(difluoromethoxy)phenyl]quinolin-6-yl]methoxy]phenyl]acetic acid

C25H19F2NO4 — CID 46933993

IUPAC2-[4-[[8-[3-(difluoromethoxy)phenyl]quinolin-6-yl]methoxy]phenyl]acetic acid
SMILESO=C(O)Cc1ccc(OCc2cc(-c3cccc(OC(F)F)c3)c3ncccc3c2)cc1
InChIInChI=1S/C25H19F2NO4/c26-25(27)32-21-5-1-3-18(14-21)22-12-17(11-19-4-2-10-28-24(19)22)15-31-20-8-6-16(7-9-20)13-23(29)30/h1-12,14,25H,13,15H2,(H,29,30)
InChIKeyGKHODUKSOBLBHU-UHFFFAOYSA-N
MW435.43 g/mol
LogP5.71
Rot. Bonds8

About 2-[4-[[8-[3-(difluoromethoxy)phenyl]quinolin-6-yl]methoxy]phenyl]acetic acid

2-[4-[[8-[3-(difluoromethoxy)phenyl]quinolin-6-yl]methoxy]phenyl]acetic acid (PubChem CID 46933993) has the molecular formula C25H19F2NO4 and a molecular weight of 435.43 g/mol. Its IUPAC name is 2-[4-[[8-[3-(difluoromethoxy)phenyl]quinolin-6-yl]methoxy]phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-[[8-[3-(difluoromethoxy)phenyl]quinolin-6-yl]methoxy]phenyl]acetic acid
PubChem CID46933993
Molecular FormulaC25H19F2NO4
Molecular Weight435.43 g/mol
Exact Mass435.13
IUPAC Name2-[4-[[8-[3-(difluoromethoxy)phenyl]quinolin-6-yl]methoxy]phenyl]acetic acid
SMILESO=C(O)Cc1ccc(OCc2cc(-c3cccc(OC(F)F)c3)c3ncccc3c2)cc1
InChIInChI=1S/C25H19F2NO4/c26-25(27)32-21-5-1-3-18(14-21)22-12-17(11-19-4-2-10-28-24(19)22)15-31-20-8-6-16(7-9-20)13-23(29)30/h1-12,14,25H,13,15H2,(H,29,30)
InChIKeyGKHODUKSOBLBHU-UHFFFAOYSA-N
XLogP5.71
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.43
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[8-[3-(difluoromethoxy)phenyl]quinolin-6-yl]methoxy]phenyl]acetic acid?
The IUPAC name of 2-[4-[[8-[3-(difluoromethoxy)phenyl]quinolin-6-yl]methoxy]phenyl]acetic acid (CID 46933993) is 2-[4-[[8-[3-(difluoromethoxy)phenyl]quinolin-6-yl]methoxy]phenyl]acetic acid.
What is the SMILES notation for 2-[4-[[8-[3-(difluoromethoxy)phenyl]quinolin-6-yl]methoxy]phenyl]acetic acid?
The canonical SMILES for 2-[4-[[8-[3-(difluoromethoxy)phenyl]quinolin-6-yl]methoxy]phenyl]acetic acid is O=C(O)Cc1ccc(OCc2cc(-c3cccc(OC(F)F)c3)c3ncccc3c2)cc1.
What is the InChIKey of 2-[4-[[8-[3-(difluoromethoxy)phenyl]quinolin-6-yl]methoxy]phenyl]acetic acid?
The InChIKey is GKHODUKSOBLBHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19F2NO4/c26-25(27)32-21-5-1-3-18(14-21)22-12-17(11-19-4-2-10-28-24(19)22)15-31-20-8-6-16(7-9-20)13-23(29)30/h1-12,14,25H,13,15H2,(H,29,30).
What are the key properties of 2-[4-[[8-[3-(difluoromethoxy)phenyl]quinolin-6-yl]methoxy]phenyl]acetic acid?
2-[4-[[8-[3-(difluoromethoxy)phenyl]quinolin-6-yl]methoxy]phenyl]acetic acid has a molecular weight of 435.43 g/mol, XLogP of 5.71, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[8-[3-(difluoromethoxy)phenyl]quinolin-6-yl]methoxy]phenyl]acetic acid is sourced from PubChem (CID 46933993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).