8-[(2,6-difluorophenyl)methoxy]quinoline-3-carboxylic acid

C17H11F2NO3 — CID 118870240

IUPAC8-[(2,6-difluorophenyl)methoxy]quinoline-3-carboxylic acid
SMILESO=C(O)c1cnc2c(OCc3c(F)cccc3F)cccc2c1
InChIInChI=1S/C17H11F2NO3/c18-13-4-2-5-14(19)12(13)9-23-15-6-1-3-10-7-11(17(21)22)8-20-16(10)15/h1-8H,9H2,(H,21,22)
InChIKeyKJOKZONYPIJTTA-UHFFFAOYSA-N
MW315.28 g/mol
LogP3.79
Rot. Bonds4

About 8-[(2,6-difluorophenyl)methoxy]quinoline-3-carboxylic acid

8-[(2,6-difluorophenyl)methoxy]quinoline-3-carboxylic acid (PubChem CID 118870240) has the molecular formula C17H11F2NO3 and a molecular weight of 315.28 g/mol. Its IUPAC name is 8-[(2,6-difluorophenyl)methoxy]quinoline-3-carboxylic acid.

Molecular Properties

Compound Name8-[(2,6-difluorophenyl)methoxy]quinoline-3-carboxylic acid
PubChem CID118870240
Molecular FormulaC17H11F2NO3
Molecular Weight315.28 g/mol
Exact Mass315.07
IUPAC Name8-[(2,6-difluorophenyl)methoxy]quinoline-3-carboxylic acid
SMILESO=C(O)c1cnc2c(OCc3c(F)cccc3F)cccc2c1
InChIInChI=1S/C17H11F2NO3/c18-13-4-2-5-14(19)12(13)9-23-15-6-1-3-10-7-11(17(21)22)8-20-16(10)15/h1-8H,9H2,(H,21,22)
InChIKeyKJOKZONYPIJTTA-UHFFFAOYSA-N
XLogP3.79
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 ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

8-fluoroquinoline-3-carboxylic acid;hydrate
CID 90668422
(3S)-1-[8-[(2,6-difluorophenyl)methoxy]quinolin-3-yl]-3-(hydroxymethyl)heptan-1-one
CID 162187107
4-[(2,6-difluorophenyl)methoxy]-3-methylbenzoic acid
CID 107673935
8-bromoquinoline-3-carboxylic acid;hydrate
CID 71710960
1-(8-fluoroquinolin-3-yl)ethanone
CID 75355413
8-methylsulfanylquinoline-3-carboxylic acid
CID 126609848
ethyl 8-ethoxyquinoline-3-carboxylate
CID 122362443
ethyl 8-fluoroquinoline-3-carboxylate
CID 15525332
5-[5-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]pyridine-3-carboxylic acid
CID 121301924
8-(dimethylamino)quinoline-3-carboxylic acid
CID 105469716
4-amino-2-[(2,6-difluorophenyl)methoxy]benzoic acid
CID 106954932
6,8-difluoroquinoline-3-carboxylic acid
CID 22452302

Frequently Asked Questions

What is the IUPAC name of 8-[(2,6-difluorophenyl)methoxy]quinoline-3-carboxylic acid?
The IUPAC name of 8-[(2,6-difluorophenyl)methoxy]quinoline-3-carboxylic acid (CID 118870240) is 8-[(2,6-difluorophenyl)methoxy]quinoline-3-carboxylic acid.
What is the SMILES notation for 8-[(2,6-difluorophenyl)methoxy]quinoline-3-carboxylic acid?
The canonical SMILES for 8-[(2,6-difluorophenyl)methoxy]quinoline-3-carboxylic acid is O=C(O)c1cnc2c(OCc3c(F)cccc3F)cccc2c1.
What is the InChIKey of 8-[(2,6-difluorophenyl)methoxy]quinoline-3-carboxylic acid?
The InChIKey is KJOKZONYPIJTTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F2NO3/c18-13-4-2-5-14(19)12(13)9-23-15-6-1-3-10-7-11(17(21)22)8-20-16(10)15/h1-8H,9H2,(H,21,22).
What are the key properties of 8-[(2,6-difluorophenyl)methoxy]quinoline-3-carboxylic acid?
8-[(2,6-difluorophenyl)methoxy]quinoline-3-carboxylic acid has a molecular weight of 315.28 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(2,6-difluorophenyl)methoxy]quinoline-3-carboxylic acid is sourced from PubChem (CID 118870240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).