2-(cyclobutyloxymethyl)-4,4,4-trifluoro-N-(8-fluoroquinolin-3-yl)-2-methylbutanamide

C19H20F4N2O2 — CID 138478424

IUPAC2-(cyclobutyloxymethyl)-4,4,4-trifluoro-N-(8-fluoroquinolin-3-yl)-2-methylbutanamide
SMILESCC(COC1CCC1)(CC(F)(F)F)C(=O)Nc1cnc2c(F)cccc2c1
InChIInChI=1S/C19H20F4N2O2/c1-18(10-19(21,22)23,11-27-14-5-3-6-14)17(26)25-13-8-12-4-2-7-15(20)16(12)24-9-13/h2,4,7-9,14H,3,5-6,10-11H2,1H3,(H,25,26)
InChIKeyIROLDNOGGCFGFA-UHFFFAOYSA-N
MW384.37 g/mol
LogP4.84
Rot. Bonds6

About 2-(cyclobutyloxymethyl)-4,4,4-trifluoro-N-(8-fluoroquinolin-3-yl)-2-methylbutanamide

2-(cyclobutyloxymethyl)-4,4,4-trifluoro-N-(8-fluoroquinolin-3-yl)-2-methylbutanamide (PubChem CID 138478424) has the molecular formula C19H20F4N2O2 and a molecular weight of 384.37 g/mol. Its IUPAC name is 2-(cyclobutyloxymethyl)-4,4,4-trifluoro-N-(8-fluoroquinolin-3-yl)-2-methylbutanamide.

Molecular Properties

Compound Name2-(cyclobutyloxymethyl)-4,4,4-trifluoro-N-(8-fluoroquinolin-3-yl)-2-methylbutanamide
PubChem CID138478424
Molecular FormulaC19H20F4N2O2
Molecular Weight384.37 g/mol
Exact Mass384.15
IUPAC Name2-(cyclobutyloxymethyl)-4,4,4-trifluoro-N-(8-fluoroquinolin-3-yl)-2-methylbutanamide
SMILESCC(COC1CCC1)(CC(F)(F)F)C(=O)Nc1cnc2c(F)cccc2c1
InChIInChI=1S/C19H20F4N2O2/c1-18(10-19(21,22)23,11-27-14-5-3-6-14)17(26)25-13-8-12-4-2-7-15(20)16(12)24-9-13/h2,4,7-9,14H,3,5-6,10-11H2,1H3,(H,25,26)
InChIKeyIROLDNOGGCFGFA-UHFFFAOYSA-N
XLogP4.84
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.37
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclobutyloxymethyl)-4,4,4-trifluoro-N-(8-fluoroquinolin-3-yl)-2-methylbutanamide?
The IUPAC name of 2-(cyclobutyloxymethyl)-4,4,4-trifluoro-N-(8-fluoroquinolin-3-yl)-2-methylbutanamide (CID 138478424) is 2-(cyclobutyloxymethyl)-4,4,4-trifluoro-N-(8-fluoroquinolin-3-yl)-2-methylbutanamide.
What is the SMILES notation for 2-(cyclobutyloxymethyl)-4,4,4-trifluoro-N-(8-fluoroquinolin-3-yl)-2-methylbutanamide?
The canonical SMILES for 2-(cyclobutyloxymethyl)-4,4,4-trifluoro-N-(8-fluoroquinolin-3-yl)-2-methylbutanamide is CC(COC1CCC1)(CC(F)(F)F)C(=O)Nc1cnc2c(F)cccc2c1.
What is the InChIKey of 2-(cyclobutyloxymethyl)-4,4,4-trifluoro-N-(8-fluoroquinolin-3-yl)-2-methylbutanamide?
The InChIKey is IROLDNOGGCFGFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F4N2O2/c1-18(10-19(21,22)23,11-27-14-5-3-6-14)17(26)25-13-8-12-4-2-7-15(20)16(12)24-9-13/h2,4,7-9,14H,3,5-6,10-11H2,1H3,(H,25,26).
What are the key properties of 2-(cyclobutyloxymethyl)-4,4,4-trifluoro-N-(8-fluoroquinolin-3-yl)-2-methylbutanamide?
2-(cyclobutyloxymethyl)-4,4,4-trifluoro-N-(8-fluoroquinolin-3-yl)-2-methylbutanamide has a molecular weight of 384.37 g/mol, XLogP of 4.84, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclobutyloxymethyl)-4,4,4-trifluoro-N-(8-fluoroquinolin-3-yl)-2-methylbutanamide is sourced from PubChem (CID 138478424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).