N-(1-cyclohexyloxy-4-fluoro-2-methylbutan-2-yl)-8-fluoroquinoline-3-carboxamide

C21H26F2N2O2 — CID 166883410

IUPACN-(1-cyclohexyloxy-4-fluoro-2-methylbutan-2-yl)-8-fluoroquinoline-3-carboxamide
SMILESCC(CCF)(COC1CCCCC1)NC(=O)c1cnc2c(F)cccc2c1
InChIInChI=1S/C21H26F2N2O2/c1-21(10-11-22,14-27-17-7-3-2-4-8-17)25-20(26)16-12-15-6-5-9-18(23)19(15)24-13-16/h5-6,9,12-13,17H,2-4,7-8,10-11,14H2,1H3,(H,25,26)
InChIKeyZCXZKYDKTYJHMF-UHFFFAOYSA-N
MW376.45 g/mol
LogP4.57
Rot. Bonds7

About N-(1-cyclohexyloxy-4-fluoro-2-methylbutan-2-yl)-8-fluoroquinoline-3-carboxamide

N-(1-cyclohexyloxy-4-fluoro-2-methylbutan-2-yl)-8-fluoroquinoline-3-carboxamide (PubChem CID 166883410) has the molecular formula C21H26F2N2O2 and a molecular weight of 376.45 g/mol. Its IUPAC name is N-(1-cyclohexyloxy-4-fluoro-2-methylbutan-2-yl)-8-fluoroquinoline-3-carboxamide.

Molecular Properties

Compound NameN-(1-cyclohexyloxy-4-fluoro-2-methylbutan-2-yl)-8-fluoroquinoline-3-carboxamide
PubChem CID166883410
Molecular FormulaC21H26F2N2O2
Molecular Weight376.45 g/mol
Exact Mass376.20
IUPAC NameN-(1-cyclohexyloxy-4-fluoro-2-methylbutan-2-yl)-8-fluoroquinoline-3-carboxamide
SMILESCC(CCF)(COC1CCCCC1)NC(=O)c1cnc2c(F)cccc2c1
InChIInChI=1S/C21H26F2N2O2/c1-21(10-11-22,14-27-17-7-3-2-4-8-17)25-20(26)16-12-15-6-5-9-18(23)19(15)24-13-16/h5-6,9,12-13,17H,2-4,7-8,10-11,14H2,1H3,(H,25,26)
InChIKeyZCXZKYDKTYJHMF-UHFFFAOYSA-N
XLogP4.57
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.45
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(1-cyclohexyloxy-4-fluoro-2-methylbutan-2-yl)-8-fluoroquinoline-3-carboxamide with MolForge

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Related Compounds

8-chloro-N-(1-cyclobutyloxy-4,4,4-trifluoro-2-methylbutan-2-yl)quinoline-3-carboxamide
CID 142533330
8-fluoro-N-[4,4,4-trifluoro-2-methyl-1-(oxan-3-yl)butan-2-yl]quinoline-3-carboxamide
CID 155089008
8-fluoro-N-(2-methylheptan-2-yl)quinoline-3-carboxamide
CID 155104955
2-(cyclobutyloxymethyl)-4,4,4-trifluoro-N-(8-fluoroquinolin-3-yl)-2-methylbutanamide
CID 138478424
N-(2,4-dimethyl-1-phenylpent-4-en-2-yl)-8-fluoroquinoline-3-carboxamide
CID 130405989
8-fluoro-N-[(2S)-4,4,4-trifluoro-1-(3-fluorophenyl)-2-methylbutan-2-yl]quinoline-3-carboxamide
CID 155126033
N-(4-ethyl-2,6-dimethylhepta-1,6-dien-4-yl)-8-fluoroquinoline-3-carboxamide
CID 162488168
8-fluoro-N-(4,4,4-trifluoro-2-phenylbutan-2-yl)quinoline-3-carboxamide
CID 175312240
8-fluoro-N-(2-methyl-1-oxo-3-phenylpropan-2-yl)quinoline-3-carboxamide
CID 130421211
methyl 3-[(8-fluoroquinoline-3-carbonyl)amino]propanoate
CID 110489648
1-(8-fluoroquinolin-3-yl)ethanone
CID 75355413
8-fluoroquinoline-3-carboxylic acid;hydrate
CID 90668422

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclohexyloxy-4-fluoro-2-methylbutan-2-yl)-8-fluoroquinoline-3-carboxamide?
The IUPAC name of N-(1-cyclohexyloxy-4-fluoro-2-methylbutan-2-yl)-8-fluoroquinoline-3-carboxamide (CID 166883410) is N-(1-cyclohexyloxy-4-fluoro-2-methylbutan-2-yl)-8-fluoroquinoline-3-carboxamide.
What is the SMILES notation for N-(1-cyclohexyloxy-4-fluoro-2-methylbutan-2-yl)-8-fluoroquinoline-3-carboxamide?
The canonical SMILES for N-(1-cyclohexyloxy-4-fluoro-2-methylbutan-2-yl)-8-fluoroquinoline-3-carboxamide is CC(CCF)(COC1CCCCC1)NC(=O)c1cnc2c(F)cccc2c1.
What is the InChIKey of N-(1-cyclohexyloxy-4-fluoro-2-methylbutan-2-yl)-8-fluoroquinoline-3-carboxamide?
The InChIKey is ZCXZKYDKTYJHMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26F2N2O2/c1-21(10-11-22,14-27-17-7-3-2-4-8-17)25-20(26)16-12-15-6-5-9-18(23)19(15)24-13-16/h5-6,9,12-13,17H,2-4,7-8,10-11,14H2,1H3,(H,25,26).
What are the key properties of N-(1-cyclohexyloxy-4-fluoro-2-methylbutan-2-yl)-8-fluoroquinoline-3-carboxamide?
N-(1-cyclohexyloxy-4-fluoro-2-methylbutan-2-yl)-8-fluoroquinoline-3-carboxamide has a molecular weight of 376.45 g/mol, XLogP of 4.57, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclohexyloxy-4-fluoro-2-methylbutan-2-yl)-8-fluoroquinoline-3-carboxamide is sourced from PubChem (CID 166883410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).