N-[(1R)-1-pyridin-2-ylpropyl]-8-[4-(trifluoromethyl)phenoxy]quinoline-3-carboxamide

C25H20F3N3O2 — CID 155262090

IUPACN-[(1R)-1-pyridin-2-ylpropyl]-8-[4-(trifluoromethyl)phenoxy]quinoline-3-carboxamide
SMILESCC[C@@H](NC(=O)c1cnc2c(Oc3ccc(C(F)(F)F)cc3)cccc2c1)c1ccccn1
InChIInChI=1S/C25H20F3N3O2/c1-2-20(21-7-3-4-13-29-21)31-24(32)17-14-16-6-5-8-22(23(16)30-15-17)33-19-11-9-18(10-12-19)25(26,27)28/h3-15,20H,2H2,1H3,(H,31,32)/t20-/m1/s1
InChIKeyIVMRGTWRZBSZRR-HXUWFJFHSA-N
MW451.45 g/mol
LogP6.32
Rot. Bonds6

About N-[(1R)-1-pyridin-2-ylpropyl]-8-[4-(trifluoromethyl)phenoxy]quinoline-3-carboxamide

N-[(1R)-1-pyridin-2-ylpropyl]-8-[4-(trifluoromethyl)phenoxy]quinoline-3-carboxamide (PubChem CID 155262090) has the molecular formula C25H20F3N3O2 and a molecular weight of 451.45 g/mol. Its IUPAC name is N-[(1R)-1-pyridin-2-ylpropyl]-8-[4-(trifluoromethyl)phenoxy]quinoline-3-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-pyridin-2-ylpropyl]-8-[4-(trifluoromethyl)phenoxy]quinoline-3-carboxamide
PubChem CID155262090
Molecular FormulaC25H20F3N3O2
Molecular Weight451.45 g/mol
Exact Mass451.15
IUPAC NameN-[(1R)-1-pyridin-2-ylpropyl]-8-[4-(trifluoromethyl)phenoxy]quinoline-3-carboxamide
SMILESCC[C@@H](NC(=O)c1cnc2c(Oc3ccc(C(F)(F)F)cc3)cccc2c1)c1ccccn1
InChIInChI=1S/C25H20F3N3O2/c1-2-20(21-7-3-4-13-29-21)31-24(32)17-14-16-6-5-8-22(23(16)30-15-17)33-19-11-9-18(10-12-19)25(26,27)28/h3-15,20H,2H2,1H3,(H,31,32)/t20-/m1/s1
InChIKeyIVMRGTWRZBSZRR-HXUWFJFHSA-N
XLogP6.32
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.45
LogP ≤ 56.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-1-methoxypropan-2-yl]-8-[4-(trifluoromethyl)phenoxy]quinoline-3-carboxamide
CID 155214032
N-[(1R)-2-hydroxy-1-pyridin-2-ylethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide
CID 155213959
6-methoxy-N-(1-pyridin-2-ylethyl)-8-[4-(trifluoromethyl)phenoxy]quinoline-3-carboxamide
CID 155213963
N-(2-hydroxy-1-pyridin-2-ylethyl)-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;naphthalene-1-carboxamide
CID 175540778
2-amino-2-pyridin-2-ylethanol;N-(2-hydroxy-1-pyridin-2-ylethyl)-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxylic acid
CID 157084878
N-[(1R)-1-(1H-benzimidazol-4-yl)ethyl]-8-[4-(trifluoromethyl)phenoxy]quinoline-3-carboxamide
CID 155214162
5-[4-[difluoro(phosphanyl)methyl]phenoxy]-N-(2-hydroxy-1-pyridin-2-ylethyl)naphthalene-2-carboxamide
CID 176698697
8-[(4,4-difluorocyclohexyl)methoxy]-N-(1-pyridin-2-ylethyl)quinoline-3-carboxamide
CID 166552626
N-(1-pyridin-2-ylpropyl)-2-(trifluoromethyl)benzamide
CID 91775087
N-(1-pyridin-2-ylbutyl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 69375151
N-[(2S)-1-methoxypropan-2-yl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide
CID 155214013
N-(4-aminobutan-2-yl)-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide
CID 155214020

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-pyridin-2-ylpropyl]-8-[4-(trifluoromethyl)phenoxy]quinoline-3-carboxamide?
The IUPAC name of N-[(1R)-1-pyridin-2-ylpropyl]-8-[4-(trifluoromethyl)phenoxy]quinoline-3-carboxamide (CID 155262090) is N-[(1R)-1-pyridin-2-ylpropyl]-8-[4-(trifluoromethyl)phenoxy]quinoline-3-carboxamide.
What is the SMILES notation for N-[(1R)-1-pyridin-2-ylpropyl]-8-[4-(trifluoromethyl)phenoxy]quinoline-3-carboxamide?
The canonical SMILES for N-[(1R)-1-pyridin-2-ylpropyl]-8-[4-(trifluoromethyl)phenoxy]quinoline-3-carboxamide is CC[C@@H](NC(=O)c1cnc2c(Oc3ccc(C(F)(F)F)cc3)cccc2c1)c1ccccn1.
What is the InChIKey of N-[(1R)-1-pyridin-2-ylpropyl]-8-[4-(trifluoromethyl)phenoxy]quinoline-3-carboxamide?
The InChIKey is IVMRGTWRZBSZRR-HXUWFJFHSA-N. The full InChI is InChI=1S/C25H20F3N3O2/c1-2-20(21-7-3-4-13-29-21)31-24(32)17-14-16-6-5-8-22(23(16)30-15-17)33-19-11-9-18(10-12-19)25(26,27)28/h3-15,20H,2H2,1H3,(H,31,32)/t20-/m1/s1.
What are the key properties of N-[(1R)-1-pyridin-2-ylpropyl]-8-[4-(trifluoromethyl)phenoxy]quinoline-3-carboxamide?
N-[(1R)-1-pyridin-2-ylpropyl]-8-[4-(trifluoromethyl)phenoxy]quinoline-3-carboxamide has a molecular weight of 451.45 g/mol, XLogP of 6.32, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-pyridin-2-ylpropyl]-8-[4-(trifluoromethyl)phenoxy]quinoline-3-carboxamide is sourced from PubChem (CID 155262090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).