8-chloro-N-(1-cyclobutyloxy-4,4,4-trifluoro-2-methylbutan-2-yl)quinoline-3-carboxamide

C19H20ClF3N2O2 — CID 142533330

IUPAC8-chloro-N-(1-cyclobutyloxy-4,4,4-trifluoro-2-methylbutan-2-yl)quinoline-3-carboxamide
SMILESCC(COC1CCC1)(CC(F)(F)F)NC(=O)c1cnc2c(Cl)cccc2c1
InChIInChI=1S/C19H20ClF3N2O2/c1-18(10-19(21,22)23,11-27-14-5-3-6-14)25-17(26)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)
InChIKeyFMDUVUUCPBLUFL-UHFFFAOYSA-N
MW400.83 g/mol
LogP4.90
Rot. Bonds6

About 8-chloro-N-(1-cyclobutyloxy-4,4,4-trifluoro-2-methylbutan-2-yl)quinoline-3-carboxamide

8-chloro-N-(1-cyclobutyloxy-4,4,4-trifluoro-2-methylbutan-2-yl)quinoline-3-carboxamide (PubChem CID 142533330) has the molecular formula C19H20ClF3N2O2 and a molecular weight of 400.83 g/mol. Its IUPAC name is 8-chloro-N-(1-cyclobutyloxy-4,4,4-trifluoro-2-methylbutan-2-yl)quinoline-3-carboxamide.

Molecular Properties

Compound Name8-chloro-N-(1-cyclobutyloxy-4,4,4-trifluoro-2-methylbutan-2-yl)quinoline-3-carboxamide
PubChem CID142533330
Molecular FormulaC19H20ClF3N2O2
Molecular Weight400.83 g/mol
Exact Mass400.12
IUPAC Name8-chloro-N-(1-cyclobutyloxy-4,4,4-trifluoro-2-methylbutan-2-yl)quinoline-3-carboxamide
SMILESCC(COC1CCC1)(CC(F)(F)F)NC(=O)c1cnc2c(Cl)cccc2c1
InChIInChI=1S/C19H20ClF3N2O2/c1-18(10-19(21,22)23,11-27-14-5-3-6-14)25-17(26)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)
InChIKeyFMDUVUUCPBLUFL-UHFFFAOYSA-N
XLogP4.90
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.83
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-N-(1-cyclobutyloxy-4,4,4-trifluoro-2-methylbutan-2-yl)quinoline-3-carboxamide?
The IUPAC name of 8-chloro-N-(1-cyclobutyloxy-4,4,4-trifluoro-2-methylbutan-2-yl)quinoline-3-carboxamide (CID 142533330) is 8-chloro-N-(1-cyclobutyloxy-4,4,4-trifluoro-2-methylbutan-2-yl)quinoline-3-carboxamide.
What is the SMILES notation for 8-chloro-N-(1-cyclobutyloxy-4,4,4-trifluoro-2-methylbutan-2-yl)quinoline-3-carboxamide?
The canonical SMILES for 8-chloro-N-(1-cyclobutyloxy-4,4,4-trifluoro-2-methylbutan-2-yl)quinoline-3-carboxamide is CC(COC1CCC1)(CC(F)(F)F)NC(=O)c1cnc2c(Cl)cccc2c1.
What is the InChIKey of 8-chloro-N-(1-cyclobutyloxy-4,4,4-trifluoro-2-methylbutan-2-yl)quinoline-3-carboxamide?
The InChIKey is FMDUVUUCPBLUFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClF3N2O2/c1-18(10-19(21,22)23,11-27-14-5-3-6-14)25-17(26)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 8-chloro-N-(1-cyclobutyloxy-4,4,4-trifluoro-2-methylbutan-2-yl)quinoline-3-carboxamide?
8-chloro-N-(1-cyclobutyloxy-4,4,4-trifluoro-2-methylbutan-2-yl)quinoline-3-carboxamide has a molecular weight of 400.83 g/mol, XLogP of 4.90, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-N-(1-cyclobutyloxy-4,4,4-trifluoro-2-methylbutan-2-yl)quinoline-3-carboxamide is sourced from PubChem (CID 142533330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).