N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]quinoline-2-carboxamide

C22H19F3N4O3 — CID 118273395

IUPACN-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]quinoline-2-carboxamide
SMILESCN(CC(=O)NC1CC1)C(=O)c1ccc2cc(Oc3ccc(C(F)(F)F)nc3)ccc2n1
InChIInChI=1S/C22H19F3N4O3/c1-29(12-20(30)27-14-3-4-14)21(31)18-7-2-13-10-15(5-8-17(13)28-18)32-16-6-9-19(26-11-16)22(23,24)25/h2,5-11,14H,3-4,12H2,1H3,(H,27,30)
InChIKeyIHDMGIOAJLJCDW-UHFFFAOYSA-N
MW444.41 g/mol
LogP3.79
Rot. Bonds6

About N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]quinoline-2-carboxamide

N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]quinoline-2-carboxamide (PubChem CID 118273395) has the molecular formula C22H19F3N4O3 and a molecular weight of 444.41 g/mol. Its IUPAC name is N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]quinoline-2-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]quinoline-2-carboxamide
PubChem CID118273395
Molecular FormulaC22H19F3N4O3
Molecular Weight444.41 g/mol
Exact Mass444.14
IUPAC NameN-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]quinoline-2-carboxamide
SMILESCN(CC(=O)NC1CC1)C(=O)c1ccc2cc(Oc3ccc(C(F)(F)F)nc3)ccc2n1
InChIInChI=1S/C22H19F3N4O3/c1-29(12-20(30)27-14-3-4-14)21(31)18-7-2-13-10-15(5-8-17(13)28-18)32-16-6-9-19(26-11-16)22(23,24)25/h2,5-11,14H,3-4,12H2,1H3,(H,27,30)
InChIKeyIHDMGIOAJLJCDW-UHFFFAOYSA-N
XLogP3.79
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.41
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]quinoline-2-carboxamide with MolForge

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Related Compounds

[(3R)-3-(hydroxymethyl)piperazin-1-yl]-[6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]quinolin-2-yl]methanone
CID 118273401
6-chloro-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylpyridazine-3-carboxamide
CID 61042272
2-phenoxy-N-[(3S)-1-[3-[[6-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]pyrrolidin-3-yl]acetamide
CID 177185716
N-[(2-hydroxycyclopentyl)methyl]-6-methoxy-N-methylquinoline-2-carboxamide
CID 109399670
N-[(2R)-2-hydroxypropyl]-6-methoxy-N-methylquinoline-2-carboxamide
CID 95972027
methyl 6-(2,2,2-trifluoroethoxy)quinoline-2-carboxylate
CID 102941448
N-[2-(diethylamino)-2-oxoethyl]-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinoline-2-carboxamide
CID 118273392
N-[3-(diethylamino)-3-oxopropyl]-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinoline-2-carboxamide
CID 118273420
N-cyclopropyl-2-[methyl-[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]acetamide
CID 114564651
2-[(6-aminoquinolin-2-yl)-methylamino]-N-cyclopropylacetamide
CID 43577856
2-[(3-chloro-6-methoxyquinolin-4-yl)-methylamino]-N-cyclopropylacetamide
CID 138052900
2-[(3-methyloxetan-3-yl)methoxy]-N-[(3S)-1-[3-[[6-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]pyrrolidin-3-yl]acetamide
CID 177186053

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]quinoline-2-carboxamide?
The IUPAC name of N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]quinoline-2-carboxamide (CID 118273395) is N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]quinoline-2-carboxamide.
What is the SMILES notation for N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]quinoline-2-carboxamide?
The canonical SMILES for N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]quinoline-2-carboxamide is CN(CC(=O)NC1CC1)C(=O)c1ccc2cc(Oc3ccc(C(F)(F)F)nc3)ccc2n1.
What is the InChIKey of N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]quinoline-2-carboxamide?
The InChIKey is IHDMGIOAJLJCDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F3N4O3/c1-29(12-20(30)27-14-3-4-14)21(31)18-7-2-13-10-15(5-8-17(13)28-18)32-16-6-9-19(26-11-16)22(23,24)25/h2,5-11,14H,3-4,12H2,1H3,(H,27,30).
What are the key properties of N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]quinoline-2-carboxamide?
N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]quinoline-2-carboxamide has a molecular weight of 444.41 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]quinoline-2-carboxamide is sourced from PubChem (CID 118273395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).