6-fluoro-N-[4-(trifluoromethyl)oxan-4-yl]quinoline-8-carboxamide

C16H14F4N2O2 — CID 154756426

IUPAC6-fluoro-N-[4-(trifluoromethyl)oxan-4-yl]quinoline-8-carboxamide
SMILESO=C(NC1(C(F)(F)F)CCOCC1)c1cc(F)cc2cccnc12
InChIInChI=1S/C16H14F4N2O2/c17-11-8-10-2-1-5-21-13(10)12(9-11)14(23)22-15(16(18,19)20)3-6-24-7-4-15/h1-2,5,8-9H,3-4,6-7H2,(H,22,23)
InChIKeyNVMQXILXTMTODH-UHFFFAOYSA-N
MW342.29 g/mol
LogP3.22
Rot. Bonds2

About 6-fluoro-N-[4-(trifluoromethyl)oxan-4-yl]quinoline-8-carboxamide

6-fluoro-N-[4-(trifluoromethyl)oxan-4-yl]quinoline-8-carboxamide (PubChem CID 154756426) has the molecular formula C16H14F4N2O2 and a molecular weight of 342.29 g/mol. Its IUPAC name is 6-fluoro-N-[4-(trifluoromethyl)oxan-4-yl]quinoline-8-carboxamide.

Molecular Properties

Compound Name6-fluoro-N-[4-(trifluoromethyl)oxan-4-yl]quinoline-8-carboxamide
PubChem CID154756426
Molecular FormulaC16H14F4N2O2
Molecular Weight342.29 g/mol
Exact Mass342.10
IUPAC Name6-fluoro-N-[4-(trifluoromethyl)oxan-4-yl]quinoline-8-carboxamide
SMILESO=C(NC1(C(F)(F)F)CCOCC1)c1cc(F)cc2cccnc12
InChIInChI=1S/C16H14F4N2O2/c17-11-8-10-2-1-5-21-13(10)12(9-11)14(23)22-15(16(18,19)20)3-6-24-7-4-15/h1-2,5,8-9H,3-4,6-7H2,(H,22,23)
InChIKeyNVMQXILXTMTODH-UHFFFAOYSA-N
XLogP3.22
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.29
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-fluoro-N-[4-(trifluoromethyl)oxan-4-yl]quinoline-8-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(6-fluoroquinoline-8-carbonyl)amino]oxolane-3-carboxylic acid
CID 120532730
6-fluoro-N-[3-(methylsulfonylmethyl)oxetan-3-yl]quinoline-8-carboxamide
CID 131962943
N-[4-(chloromethyl)oxan-4-yl]quinoline-8-carboxamide
CID 106300490
6-fluoro-N-[1-(2-hydroxypropanoyl)-3-methylpyrrolidin-3-yl]quinoline-8-carboxamide
CID 166368636
2-(methylamino)-N-[1-(trifluoromethyl)cyclopropyl]pyridine-3-carboxamide
CID 106218163
6-fluoro-N-[2-hydroxy-1-[4-(trifluoromethyl)phenyl]ethyl]quinoline-8-carboxamide
CID 176916401
6-fluoro-N-[1-(1,2,4-oxadiazol-3-yl)ethyl]quinoline-8-carboxamide
CID 84597493
(6-fluoroquinolin-8-yl)-(3-methylazetidin-1-yl)methanone
CID 166218123
2-chloro-N-[4-(hydroxymethyl)oxan-4-yl]pyridine-3-carboxamide
CID 104630360
4-(6-fluoroquinoline-8-carbonyl)morpholine-2-carboxylic acid
CID 120526082
4-chloro-N-[1-(trifluoromethyl)cyclopropyl]pyridine-3-carboxamide
CID 106211259
1-amino-N-[1-(trifluoromethyl)cyclopropyl]isoquinoline-4-carboxamide
CID 106218185

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-[4-(trifluoromethyl)oxan-4-yl]quinoline-8-carboxamide?
The IUPAC name of 6-fluoro-N-[4-(trifluoromethyl)oxan-4-yl]quinoline-8-carboxamide (CID 154756426) is 6-fluoro-N-[4-(trifluoromethyl)oxan-4-yl]quinoline-8-carboxamide.
What is the SMILES notation for 6-fluoro-N-[4-(trifluoromethyl)oxan-4-yl]quinoline-8-carboxamide?
The canonical SMILES for 6-fluoro-N-[4-(trifluoromethyl)oxan-4-yl]quinoline-8-carboxamide is O=C(NC1(C(F)(F)F)CCOCC1)c1cc(F)cc2cccnc12.
What is the InChIKey of 6-fluoro-N-[4-(trifluoromethyl)oxan-4-yl]quinoline-8-carboxamide?
The InChIKey is NVMQXILXTMTODH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F4N2O2/c17-11-8-10-2-1-5-21-13(10)12(9-11)14(23)22-15(16(18,19)20)3-6-24-7-4-15/h1-2,5,8-9H,3-4,6-7H2,(H,22,23).
What are the key properties of 6-fluoro-N-[4-(trifluoromethyl)oxan-4-yl]quinoline-8-carboxamide?
6-fluoro-N-[4-(trifluoromethyl)oxan-4-yl]quinoline-8-carboxamide has a molecular weight of 342.29 g/mol, XLogP of 3.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-[4-(trifluoromethyl)oxan-4-yl]quinoline-8-carboxamide is sourced from PubChem (CID 154756426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).