N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]quinoline-6-carboxamide

C18H12F4N2O — CID 86970978

IUPACN-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]quinoline-6-carboxamide
SMILESO=C(NC(c1ccc(F)cc1)C(F)(F)F)c1ccc2ncccc2c1
InChIInChI=1S/C18H12F4N2O/c19-14-6-3-11(4-7-14)16(18(20,21)22)24-17(25)13-5-8-15-12(10-13)2-1-9-23-15/h1-10,16H,(H,24,25)
InChIKeyQHLZYFCSMCQGCN-UHFFFAOYSA-N
MW348.30 g/mol
LogP4.41
Rot. Bonds3

About N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]quinoline-6-carboxamide

N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]quinoline-6-carboxamide (PubChem CID 86970978) has the molecular formula C18H12F4N2O and a molecular weight of 348.30 g/mol. Its IUPAC name is N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]quinoline-6-carboxamide.

Molecular Properties

Compound NameN-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]quinoline-6-carboxamide
PubChem CID86970978
Molecular FormulaC18H12F4N2O
Molecular Weight348.30 g/mol
Exact Mass348.09
IUPAC NameN-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]quinoline-6-carboxamide
SMILESO=C(NC(c1ccc(F)cc1)C(F)(F)F)c1ccc2ncccc2c1
InChIInChI=1S/C18H12F4N2O/c19-14-6-3-11(4-7-14)16(18(20,21)22)24-17(25)13-5-8-15-12(10-13)2-1-9-23-15/h1-10,16H,(H,24,25)
InChIKeyQHLZYFCSMCQGCN-UHFFFAOYSA-N
XLogP4.41
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.30
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-fluorophenyl)methyl]quinoline-6-carboxamide
CID 59192191
(2S)-2-(2,4-difluorophenyl)-2-(quinoline-6-carbonylamino)acetic acid
CID 97259411
N-(3,3,3-trifluoro-2-hydroxypropyl)quinoline-6-carboxamide
CID 103726459
N-[(S)-(4-fluorophenyl)-[3-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-7-carboxamide
CID 71144663
N-[(S)-[3-fluoro-4-(fluoromethyl)phenyl]-[3-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide
CID 90124743
N-[1-(1H-pyrazol-4-yl)ethyl]quinoline-6-carboxamide
CID 103856354
N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]quinoline-6-carboxamide
CID 4249333
2,2,2-trifluoro-1-quinolin-6-ylethanone
CID 66466769
N-(1-aminopropan-2-yl)quinoline-6-carboxamide
CID 63730919
ethane;quinoline-6-carboxylic acid
CID 91364452
N-[3-(4-fluorophenoxy)-2-hydroxypropyl]quinoline-6-carboxamide
CID 110911243
2-(quinoline-6-carbonylamino)butanoic acid
CID 62848486

Frequently Asked Questions

What is the IUPAC name of N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]quinoline-6-carboxamide?
The IUPAC name of N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]quinoline-6-carboxamide (CID 86970978) is N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]quinoline-6-carboxamide.
What is the SMILES notation for N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]quinoline-6-carboxamide?
The canonical SMILES for N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]quinoline-6-carboxamide is O=C(NC(c1ccc(F)cc1)C(F)(F)F)c1ccc2ncccc2c1.
What is the InChIKey of N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]quinoline-6-carboxamide?
The InChIKey is QHLZYFCSMCQGCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F4N2O/c19-14-6-3-11(4-7-14)16(18(20,21)22)24-17(25)13-5-8-15-12(10-13)2-1-9-23-15/h1-10,16H,(H,24,25).
What are the key properties of N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]quinoline-6-carboxamide?
N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]quinoline-6-carboxamide has a molecular weight of 348.30 g/mol, XLogP of 4.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]quinoline-6-carboxamide is sourced from PubChem (CID 86970978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).