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

C19H15F2NO3 — CID 118870254

IUPAC8-[(2,6-difluorophenyl)methoxy]-2-ethylquinoline-3-carboxylic acid
SMILESCCc1nc2c(OCc3c(F)cccc3F)cccc2cc1C(=O)O
InChIInChI=1S/C19H15F2NO3/c1-2-16-12(19(23)24)9-11-5-3-8-17(18(11)22-16)25-10-13-14(20)6-4-7-15(13)21/h3-9H,2,10H2,1H3,(H,23,24)
InChIKeyXBNJLQWRGBKCJD-UHFFFAOYSA-N
MW343.33 g/mol
LogP4.35
Rot. Bonds5

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

8-[(2,6-difluorophenyl)methoxy]-2-ethylquinoline-3-carboxylic acid (PubChem CID 118870254) has the molecular formula C19H15F2NO3 and a molecular weight of 343.33 g/mol. Its IUPAC name is 8-[(2,6-difluorophenyl)methoxy]-2-ethylquinoline-3-carboxylic acid.

Molecular Properties

Compound Name8-[(2,6-difluorophenyl)methoxy]-2-ethylquinoline-3-carboxylic acid
PubChem CID118870254
Molecular FormulaC19H15F2NO3
Molecular Weight343.33 g/mol
Exact Mass343.10
IUPAC Name8-[(2,6-difluorophenyl)methoxy]-2-ethylquinoline-3-carboxylic acid
SMILESCCc1nc2c(OCc3c(F)cccc3F)cccc2cc1C(=O)O
InChIInChI=1S/C19H15F2NO3/c1-2-16-12(19(23)24)9-11-5-3-8-17(18(11)22-16)25-10-13-14(20)6-4-7-15(13)21/h3-9H,2,10H2,1H3,(H,23,24)
InChIKeyXBNJLQWRGBKCJD-UHFFFAOYSA-N
XLogP4.35
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.33
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-[(2,6-difluorophenyl)methoxy]-2-ethylquinoline-3-carboxylic acid?
The IUPAC name of 8-[(2,6-difluorophenyl)methoxy]-2-ethylquinoline-3-carboxylic acid (CID 118870254) is 8-[(2,6-difluorophenyl)methoxy]-2-ethylquinoline-3-carboxylic acid.
What is the SMILES notation for 8-[(2,6-difluorophenyl)methoxy]-2-ethylquinoline-3-carboxylic acid?
The canonical SMILES for 8-[(2,6-difluorophenyl)methoxy]-2-ethylquinoline-3-carboxylic acid is CCc1nc2c(OCc3c(F)cccc3F)cccc2cc1C(=O)O.
What is the InChIKey of 8-[(2,6-difluorophenyl)methoxy]-2-ethylquinoline-3-carboxylic acid?
The InChIKey is XBNJLQWRGBKCJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F2NO3/c1-2-16-12(19(23)24)9-11-5-3-8-17(18(11)22-16)25-10-13-14(20)6-4-7-15(13)21/h3-9H,2,10H2,1H3,(H,23,24).
What are the key properties of 8-[(2,6-difluorophenyl)methoxy]-2-ethylquinoline-3-carboxylic acid?
8-[(2,6-difluorophenyl)methoxy]-2-ethylquinoline-3-carboxylic acid has a molecular weight of 343.33 g/mol, XLogP of 4.35, 5 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]-2-ethylquinoline-3-carboxylic acid is sourced from PubChem (CID 118870254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).