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

C20H17F3N2O3 — CID 155213902

IUPACN-[(2R)-1-hydroxypropan-2-yl]-8-[4-(trifluoromethyl)phenoxy]quinoline-3-carboxamide
SMILESC[C@H](CO)NC(=O)c1cnc2c(Oc3ccc(C(F)(F)F)cc3)cccc2c1
InChIInChI=1S/C20H17F3N2O3/c1-12(11-26)25-19(27)14-9-13-3-2-4-17(18(13)24-10-14)28-16-7-5-15(6-8-16)20(21,22)23/h2-10,12,26H,11H2,1H3,(H,25,27)/t12-/m1/s1
InChIKeyQDYAUWVVHHRKOO-GFCCVEGCSA-N
MW390.36 g/mol
LogP4.16
Rot. Bonds5

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

N-[(2R)-1-hydroxypropan-2-yl]-8-[4-(trifluoromethyl)phenoxy]quinoline-3-carboxamide (PubChem CID 155213902) has the molecular formula C20H17F3N2O3 and a molecular weight of 390.36 g/mol. Its IUPAC name is N-[(2R)-1-hydroxypropan-2-yl]-8-[4-(trifluoromethyl)phenoxy]quinoline-3-carboxamide.

Molecular Properties

Compound NameN-[(2R)-1-hydroxypropan-2-yl]-8-[4-(trifluoromethyl)phenoxy]quinoline-3-carboxamide
PubChem CID155213902
Molecular FormulaC20H17F3N2O3
Molecular Weight390.36 g/mol
Exact Mass390.12
IUPAC NameN-[(2R)-1-hydroxypropan-2-yl]-8-[4-(trifluoromethyl)phenoxy]quinoline-3-carboxamide
SMILESC[C@H](CO)NC(=O)c1cnc2c(Oc3ccc(C(F)(F)F)cc3)cccc2c1
InChIInChI=1S/C20H17F3N2O3/c1-12(11-26)25-19(27)14-9-13-3-2-4-17(18(13)24-10-14)28-16-7-5-15(6-8-16)20(21,22)23/h2-10,12,26H,11H2,1H3,(H,25,27)/t12-/m1/s1
InChIKeyQDYAUWVVHHRKOO-GFCCVEGCSA-N
XLogP4.16
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.36
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-hydroxypropan-2-yl]-8-[4-(trifluoromethyl)phenoxy]quinoline-3-carboxamide?
The IUPAC name of N-[(2R)-1-hydroxypropan-2-yl]-8-[4-(trifluoromethyl)phenoxy]quinoline-3-carboxamide (CID 155213902) is N-[(2R)-1-hydroxypropan-2-yl]-8-[4-(trifluoromethyl)phenoxy]quinoline-3-carboxamide.
What is the SMILES notation for N-[(2R)-1-hydroxypropan-2-yl]-8-[4-(trifluoromethyl)phenoxy]quinoline-3-carboxamide?
The canonical SMILES for N-[(2R)-1-hydroxypropan-2-yl]-8-[4-(trifluoromethyl)phenoxy]quinoline-3-carboxamide is C[C@H](CO)NC(=O)c1cnc2c(Oc3ccc(C(F)(F)F)cc3)cccc2c1.
What is the InChIKey of N-[(2R)-1-hydroxypropan-2-yl]-8-[4-(trifluoromethyl)phenoxy]quinoline-3-carboxamide?
The InChIKey is QDYAUWVVHHRKOO-GFCCVEGCSA-N. The full InChI is InChI=1S/C20H17F3N2O3/c1-12(11-26)25-19(27)14-9-13-3-2-4-17(18(13)24-10-14)28-16-7-5-15(6-8-16)20(21,22)23/h2-10,12,26H,11H2,1H3,(H,25,27)/t12-/m1/s1.
What are the key properties of N-[(2R)-1-hydroxypropan-2-yl]-8-[4-(trifluoromethyl)phenoxy]quinoline-3-carboxamide?
N-[(2R)-1-hydroxypropan-2-yl]-8-[4-(trifluoromethyl)phenoxy]quinoline-3-carboxamide has a molecular weight of 390.36 g/mol, XLogP of 4.16, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-hydroxypropan-2-yl]-8-[4-(trifluoromethyl)phenoxy]quinoline-3-carboxamide is sourced from PubChem (CID 155213902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).