3-[3-(difluoromethyl)phenoxy]quinoline-4-carboxylic acid

C17H11F2NO3 — CID 162357719

IUPAC3-[3-(difluoromethyl)phenoxy]quinoline-4-carboxylic acid
SMILESO=C(O)c1c(Oc2cccc(C(F)F)c2)cnc2ccccc12
InChIInChI=1S/C17H11F2NO3/c18-16(19)10-4-3-5-11(8-10)23-14-9-20-13-7-2-1-6-12(13)15(14)17(21)22/h1-9,16H,(H,21,22)
InChIKeyKKNRZEGOQVIKPD-UHFFFAOYSA-N
MW315.28 g/mol
LogP4.66
Rot. Bonds4

About 3-[3-(difluoromethyl)phenoxy]quinoline-4-carboxylic acid

3-[3-(difluoromethyl)phenoxy]quinoline-4-carboxylic acid (PubChem CID 162357719) has the molecular formula C17H11F2NO3 and a molecular weight of 315.28 g/mol. Its IUPAC name is 3-[3-(difluoromethyl)phenoxy]quinoline-4-carboxylic acid.

Molecular Properties

Compound Name3-[3-(difluoromethyl)phenoxy]quinoline-4-carboxylic acid
PubChem CID162357719
Molecular FormulaC17H11F2NO3
Molecular Weight315.28 g/mol
Exact Mass315.07
IUPAC Name3-[3-(difluoromethyl)phenoxy]quinoline-4-carboxylic acid
SMILESO=C(O)c1c(Oc2cccc(C(F)F)c2)cnc2ccccc12
InChIInChI=1S/C17H11F2NO3/c18-16(19)10-4-3-5-11(8-10)23-14-9-20-13-7-2-1-6-12(13)15(14)17(21)22/h1-9,16H,(H,21,22)
InChIKeyKKNRZEGOQVIKPD-UHFFFAOYSA-N
XLogP4.66
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.28
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-[3-(trifluoromethyl)phenoxy]quinoline-4-carboxylate
CID 162357650
3-butan-2-yloxyquinoline-4-carboxylic acid
CID 79594936
3-(3-fluoropropoxy)quinoline-4-carboxylic acid
CID 81106756
3-[1-(dimethylamino)-1-oxopropan-2-yl]oxyquinoline-4-carboxylic acid
CID 79591700
2-(4-aminoquinolin-3-yl)-2-(3-phenoxyphenyl)acetamide
CID 163399794
3-pentoxyquinoline-4-carboxylic acid
CID 79593988
3-(1-ethylimidazol-2-yl)oxyquinoline-4-carboxylic acid
CID 79591959
3-(3-ethoxy-2-hydroxypropoxy)quinoline-4-carboxylic acid
CID 79591696
3-bromoquinoline-4-carboxylic acid
CID 119083564
N-[(2R)-2-(2-chloro-4-methylphenyl)-2-fluoroethyl]-3-[3-(trifluoromethyl)phenoxy]quinoline-4-carboxamide
CID 162357631
3-(3-methylcyclohexyl)oxyquinoline-4-carboxylic acid
CID 79591739
3-[(5-methylfuran-2-yl)methoxy]quinoline-4-carboxylic acid
CID 79591735

Frequently Asked Questions

What is the IUPAC name of 3-[3-(difluoromethyl)phenoxy]quinoline-4-carboxylic acid?
The IUPAC name of 3-[3-(difluoromethyl)phenoxy]quinoline-4-carboxylic acid (CID 162357719) is 3-[3-(difluoromethyl)phenoxy]quinoline-4-carboxylic acid.
What is the SMILES notation for 3-[3-(difluoromethyl)phenoxy]quinoline-4-carboxylic acid?
The canonical SMILES for 3-[3-(difluoromethyl)phenoxy]quinoline-4-carboxylic acid is O=C(O)c1c(Oc2cccc(C(F)F)c2)cnc2ccccc12.
What is the InChIKey of 3-[3-(difluoromethyl)phenoxy]quinoline-4-carboxylic acid?
The InChIKey is KKNRZEGOQVIKPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F2NO3/c18-16(19)10-4-3-5-11(8-10)23-14-9-20-13-7-2-1-6-12(13)15(14)17(21)22/h1-9,16H,(H,21,22).
What are the key properties of 3-[3-(difluoromethyl)phenoxy]quinoline-4-carboxylic acid?
3-[3-(difluoromethyl)phenoxy]quinoline-4-carboxylic acid has a molecular weight of 315.28 g/mol, XLogP of 4.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(difluoromethyl)phenoxy]quinoline-4-carboxylic acid is sourced from PubChem (CID 162357719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).