N-[(2S)-3-hydroxy-1-oxo-1-[[4-(trifluoromethyl)phenyl]methylamino]propan-2-yl]quinoline-2-carboxamide

C21H18F3N3O3 — CID 6723979

IUPACN-[(2S)-3-hydroxy-1-oxo-1-[[4-(trifluoromethyl)phenyl]methylamino]propan-2-yl]quinoline-2-carboxamide
SMILESO=C(N[C@@H](CO)C(=O)NCc1ccc(C(F)(F)F)cc1)c1ccc2ccccc2n1
InChIInChI=1S/C21H18F3N3O3/c22-21(23,24)15-8-5-13(6-9-15)11-25-19(29)18(12-28)27-20(30)17-10-7-14-3-1-2-4-16(14)26-17/h1-10,18,28H,11-12H2,(H,25,29)(H,27,30)/t18-/m0/s1
InChIKeyMCOLAZZOPXOXCW-SFHVURJKSA-N
MW417.39 g/mol
LogP2.66
Rot. Bonds6

About N-[(2S)-3-hydroxy-1-oxo-1-[[4-(trifluoromethyl)phenyl]methylamino]propan-2-yl]quinoline-2-carboxamide

N-[(2S)-3-hydroxy-1-oxo-1-[[4-(trifluoromethyl)phenyl]methylamino]propan-2-yl]quinoline-2-carboxamide (PubChem CID 6723979) has the molecular formula C21H18F3N3O3 and a molecular weight of 417.39 g/mol. Its IUPAC name is N-[(2S)-3-hydroxy-1-oxo-1-[[4-(trifluoromethyl)phenyl]methylamino]propan-2-yl]quinoline-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-3-hydroxy-1-oxo-1-[[4-(trifluoromethyl)phenyl]methylamino]propan-2-yl]quinoline-2-carboxamide
PubChem CID6723979
Molecular FormulaC21H18F3N3O3
Molecular Weight417.39 g/mol
Exact Mass417.13
IUPAC NameN-[(2S)-3-hydroxy-1-oxo-1-[[4-(trifluoromethyl)phenyl]methylamino]propan-2-yl]quinoline-2-carboxamide
SMILESO=C(N[C@@H](CO)C(=O)NCc1ccc(C(F)(F)F)cc1)c1ccc2ccccc2n1
InChIInChI=1S/C21H18F3N3O3/c22-21(23,24)15-8-5-13(6-9-15)11-25-19(29)18(12-28)27-20(30)17-10-7-14-3-1-2-4-16(14)26-17/h1-10,18,28H,11-12H2,(H,25,29)(H,27,30)/t18-/m0/s1
InChIKeyMCOLAZZOPXOXCW-SFHVURJKSA-N
XLogP2.66
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.39
LogP ≤ 52.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[(2S)-3-hydroxy-1-oxo-1-[[4-(trifluoromethyl)phenyl]methylamino]propan-2-yl]quinoline-2-carboxamide with MolForge

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Related Compounds

N-[(2S)-3-hydroxy-1-oxo-1-[[4-(trifluoromethyl)phenyl]methylamino]propan-2-yl]benzamide
CID 6724169
N-[1-(1,3-benzodioxol-5-ylmethylamino)-3-hydroxy-1-oxopropan-2-yl]quinoline-2-carboxamide
CID 4258209
N-[3-hydroxy-1-oxo-1-[[4-(trifluoromethyl)phenyl]methylamino]propan-2-yl]-1H-indole-2-carboxamide
CID 3618443
N-[(2S)-1-(benzylamino)-3-hydroxy-1-oxopropan-2-yl]-4-[4-(trifluoromethyl)phenyl]benzamide
CID 6723660
N-[[4-(hydroxymethyl)phenyl]methyl]quinoline-2-carboxamide
CID 68840052
N-[3-hydroxy-1-oxo-1-(1,2,4-triazol-4-ylamino)propan-2-yl]quinoline-2-carboxamide
CID 3420478
N-[(2S)-3-hydroxy-1-oxo-1-[[4-(trifluoromethyl)phenyl]methylamino]propan-2-yl]-1-phenylcyclopropane-1-carboxamide
CID 6723024
N-[(2S)-3-hydroxy-1-oxo-1-[[4-(trifluoromethyl)phenyl]methylamino]propan-2-yl]-7-methoxy-1-benzofuran-2-carboxamide
CID 6722835
2,3-dihydroxy-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
CID 143478506
N-[(2S)-3-hydroxy-1-morpholin-4-yl-1-oxopropan-2-yl]quinoline-2-carboxamide
CID 6723977
N-[(4-sulfamoylphenyl)methyl]quinoline-2-carboxamide
CID 4785409
2-(carbamoylamino)-3-phenyl-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
CID 18164591

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-3-hydroxy-1-oxo-1-[[4-(trifluoromethyl)phenyl]methylamino]propan-2-yl]quinoline-2-carboxamide?
The IUPAC name of N-[(2S)-3-hydroxy-1-oxo-1-[[4-(trifluoromethyl)phenyl]methylamino]propan-2-yl]quinoline-2-carboxamide (CID 6723979) is N-[(2S)-3-hydroxy-1-oxo-1-[[4-(trifluoromethyl)phenyl]methylamino]propan-2-yl]quinoline-2-carboxamide.
What is the SMILES notation for N-[(2S)-3-hydroxy-1-oxo-1-[[4-(trifluoromethyl)phenyl]methylamino]propan-2-yl]quinoline-2-carboxamide?
The canonical SMILES for N-[(2S)-3-hydroxy-1-oxo-1-[[4-(trifluoromethyl)phenyl]methylamino]propan-2-yl]quinoline-2-carboxamide is O=C(N[C@@H](CO)C(=O)NCc1ccc(C(F)(F)F)cc1)c1ccc2ccccc2n1.
What is the InChIKey of N-[(2S)-3-hydroxy-1-oxo-1-[[4-(trifluoromethyl)phenyl]methylamino]propan-2-yl]quinoline-2-carboxamide?
The InChIKey is MCOLAZZOPXOXCW-SFHVURJKSA-N. The full InChI is InChI=1S/C21H18F3N3O3/c22-21(23,24)15-8-5-13(6-9-15)11-25-19(29)18(12-28)27-20(30)17-10-7-14-3-1-2-4-16(14)26-17/h1-10,18,28H,11-12H2,(H,25,29)(H,27,30)/t18-/m0/s1.
What are the key properties of N-[(2S)-3-hydroxy-1-oxo-1-[[4-(trifluoromethyl)phenyl]methylamino]propan-2-yl]quinoline-2-carboxamide?
N-[(2S)-3-hydroxy-1-oxo-1-[[4-(trifluoromethyl)phenyl]methylamino]propan-2-yl]quinoline-2-carboxamide has a molecular weight of 417.39 g/mol, XLogP of 2.66, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-3-hydroxy-1-oxo-1-[[4-(trifluoromethyl)phenyl]methylamino]propan-2-yl]quinoline-2-carboxamide is sourced from PubChem (CID 6723979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).