N-[2-(diethylamino)ethyl]-2-(2,2,2-trifluoroethoxy)quinoline-4-carboxamide

C18H22F3N3O2 — CID 155529565

IUPACN-[2-(diethylamino)ethyl]-2-(2,2,2-trifluoroethoxy)quinoline-4-carboxamide
SMILESCCN(CC)CCNC(=O)c1cc(OCC(F)(F)F)nc2ccccc12
InChIInChI=1S/C18H22F3N3O2/c1-3-24(4-2)10-9-22-17(25)14-11-16(26-12-18(19,20)21)23-15-8-6-5-7-13(14)15/h5-8,11H,3-4,9-10,12H2,1-2H3,(H,22,25)
InChIKeyWDTCPBUOTAOCOY-UHFFFAOYSA-N
MW369.39 g/mol
LogP3.25
Rot. Bonds8

About N-[2-(diethylamino)ethyl]-2-(2,2,2-trifluoroethoxy)quinoline-4-carboxamide

N-[2-(diethylamino)ethyl]-2-(2,2,2-trifluoroethoxy)quinoline-4-carboxamide (PubChem CID 155529565) has the molecular formula C18H22F3N3O2 and a molecular weight of 369.39 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-2-(2,2,2-trifluoroethoxy)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-2-(2,2,2-trifluoroethoxy)quinoline-4-carboxamide
PubChem CID155529565
Molecular FormulaC18H22F3N3O2
Molecular Weight369.39 g/mol
Exact Mass369.17
IUPAC NameN-[2-(diethylamino)ethyl]-2-(2,2,2-trifluoroethoxy)quinoline-4-carboxamide
SMILESCCN(CC)CCNC(=O)c1cc(OCC(F)(F)F)nc2ccccc12
InChIInChI=1S/C18H22F3N3O2/c1-3-24(4-2)10-9-22-17(25)14-11-16(26-12-18(19,20)21)23-15-8-6-5-7-13(14)15/h5-8,11H,3-4,9-10,12H2,1-2H3,(H,22,25)
InChIKeyWDTCPBUOTAOCOY-UHFFFAOYSA-N
XLogP3.25
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.39
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-[2-(diethylamino)ethyl]quinoline-4-carboxamide
CID 13255244
2-aminobenzoic acid;bis(2-butoxy-N-[2-(diethylamino)ethyl]quinoline-4-carboxamide);dihydrochloride
CID 174871279
N-[2-(diethylamino)ethyl]-2-phenylquinoline-4-carboxamide
CID 2322323
N-(2-aminoethyl)-2-butoxyquinoline-4-carboxamide;ethane
CID 143047297
N-[2-(dimethylamino)ethyl]-2-hexoxyquinoline-4-carboxamide
CID 156634614
N-[2-(diethylamino)ethyl]-2-(2-methoxypyrimidin-5-yl)quinoline-4-carboxamide
CID 155555807
2-[2-(diethylamino)ethoxy]-N-(2,6-dimethylphenyl)quinoline-4-carboxamide
CID 28239
N-(2-phenylethyl)-2-phenylmethoxyquinoline-4-carboxamide
CID 22577997
2-chloro-N-[2-(diethylamino)ethyl]quinoline-3-carboxamide
CID 2308981
N-[2-[ethyl(methyl)amino]ethyl]-2-(methylamino)quinoline-4-carboxamide
CID 62640042
2-[2-(dimethylamino)-2-methylpropoxy]quinoline-4-carboxylic acid
CID 79672347
2-(2,2,2-trifluoroethoxy)quinoline-4-carboximidamide
CID 63885310

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-2-(2,2,2-trifluoroethoxy)quinoline-4-carboxamide?
The IUPAC name of N-[2-(diethylamino)ethyl]-2-(2,2,2-trifluoroethoxy)quinoline-4-carboxamide (CID 155529565) is N-[2-(diethylamino)ethyl]-2-(2,2,2-trifluoroethoxy)quinoline-4-carboxamide.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-2-(2,2,2-trifluoroethoxy)quinoline-4-carboxamide?
The canonical SMILES for N-[2-(diethylamino)ethyl]-2-(2,2,2-trifluoroethoxy)quinoline-4-carboxamide is CCN(CC)CCNC(=O)c1cc(OCC(F)(F)F)nc2ccccc12.
What is the InChIKey of N-[2-(diethylamino)ethyl]-2-(2,2,2-trifluoroethoxy)quinoline-4-carboxamide?
The InChIKey is WDTCPBUOTAOCOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F3N3O2/c1-3-24(4-2)10-9-22-17(25)14-11-16(26-12-18(19,20)21)23-15-8-6-5-7-13(14)15/h5-8,11H,3-4,9-10,12H2,1-2H3,(H,22,25).
What are the key properties of N-[2-(diethylamino)ethyl]-2-(2,2,2-trifluoroethoxy)quinoline-4-carboxamide?
N-[2-(diethylamino)ethyl]-2-(2,2,2-trifluoroethoxy)quinoline-4-carboxamide has a molecular weight of 369.39 g/mol, XLogP of 3.25, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-2-(2,2,2-trifluoroethoxy)quinoline-4-carboxamide is sourced from PubChem (CID 155529565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).