(8,8-difluoro-1-tricyclo[3.2.1.02,7]octanyl)methyl quinoline-3-carboxylate

C19H17F2NO2 — CID 167788318

IUPAC(8,8-difluoro-1-tricyclo[3.2.1.02,7]octanyl)methyl quinoline-3-carboxylate
SMILESO=C(OCC12C3CCC(CC31)C2(F)F)c1cnc2ccccc2c1
InChIInChI=1S/C19H17F2NO2/c20-19(21)13-5-6-14-15(8-13)18(14,19)10-24-17(23)12-7-11-3-1-2-4-16(11)22-9-12/h1-4,7,9,13-15H,5-6,8,10H2
InChIKeyGEIVIIULTIVUCK-UHFFFAOYSA-N
MW329.35 g/mol
LogP4.07
Rot. Bonds3

About (8,8-difluoro-1-tricyclo[3.2.1.02,7]octanyl)methyl quinoline-3-carboxylate

(8,8-difluoro-1-tricyclo[3.2.1.02,7]octanyl)methyl quinoline-3-carboxylate (PubChem CID 167788318) has the molecular formula C19H17F2NO2 and a molecular weight of 329.35 g/mol. Its IUPAC name is (8,8-difluoro-1-tricyclo[3.2.1.02,7]octanyl)methyl quinoline-3-carboxylate.

Molecular Properties

Compound Name(8,8-difluoro-1-tricyclo[3.2.1.02,7]octanyl)methyl quinoline-3-carboxylate
PubChem CID167788318
Molecular FormulaC19H17F2NO2
Molecular Weight329.35 g/mol
Exact Mass329.12
IUPAC Name(8,8-difluoro-1-tricyclo[3.2.1.02,7]octanyl)methyl quinoline-3-carboxylate
SMILESO=C(OCC12C3CCC(CC31)C2(F)F)c1cnc2ccccc2c1
InChIInChI=1S/C19H17F2NO2/c20-19(21)13-5-6-14-15(8-13)18(14,19)10-24-17(23)12-7-11-3-1-2-4-16(11)22-9-12/h1-4,7,9,13-15H,5-6,8,10H2
InChIKeyGEIVIIULTIVUCK-UHFFFAOYSA-N
XLogP4.07
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.35
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

prop-2-enyl quinoline-3-carboxylate
CID 54359165
butyl quinoline-3-carboxylate
CID 54753708
cyclopentyl quinoline-3-carboxylate
CID 91372569
bis(quinoline-3-carbonyl) (E)-but-2-enedioate
CID 174526131
quinoline-3-carboxamide;hydrofluoride
CID 174911514
carbonyl dichloride;quinoline-3-carboxylic acid
CID 175289113
2-quinolin-3-ylprop-2-enoyl chloride;hydrochloride
CID 19079187
cyclopentyl(quinolin-3-yl)methanone
CID 54861205
quinoline-3-carboxylate
CID 4608508
(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl) quinoline-3-carboxylate
CID 54421327
(2-carbamoylphenyl) quinoline-3-carboxylate
CID 139568537
6-bicyclo[3.1.0]hexanyl(quinolin-3-yl)methanone
CID 114963148

Frequently Asked Questions

What is the IUPAC name of (8,8-difluoro-1-tricyclo[3.2.1.02,7]octanyl)methyl quinoline-3-carboxylate?
The IUPAC name of (8,8-difluoro-1-tricyclo[3.2.1.02,7]octanyl)methyl quinoline-3-carboxylate (CID 167788318) is (8,8-difluoro-1-tricyclo[3.2.1.02,7]octanyl)methyl quinoline-3-carboxylate.
What is the SMILES notation for (8,8-difluoro-1-tricyclo[3.2.1.02,7]octanyl)methyl quinoline-3-carboxylate?
The canonical SMILES for (8,8-difluoro-1-tricyclo[3.2.1.02,7]octanyl)methyl quinoline-3-carboxylate is O=C(OCC12C3CCC(CC31)C2(F)F)c1cnc2ccccc2c1.
What is the InChIKey of (8,8-difluoro-1-tricyclo[3.2.1.02,7]octanyl)methyl quinoline-3-carboxylate?
The InChIKey is GEIVIIULTIVUCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F2NO2/c20-19(21)13-5-6-14-15(8-13)18(14,19)10-24-17(23)12-7-11-3-1-2-4-16(11)22-9-12/h1-4,7,9,13-15H,5-6,8,10H2.
What are the key properties of (8,8-difluoro-1-tricyclo[3.2.1.02,7]octanyl)methyl quinoline-3-carboxylate?
(8,8-difluoro-1-tricyclo[3.2.1.02,7]octanyl)methyl quinoline-3-carboxylate has a molecular weight of 329.35 g/mol, XLogP of 4.07, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (8,8-difluoro-1-tricyclo[3.2.1.02,7]octanyl)methyl quinoline-3-carboxylate is sourced from PubChem (CID 167788318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).