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

C21H19F3N2O3 — CID 155214032

IUPACN-[(2S)-1-methoxypropan-2-yl]-8-[4-(trifluoromethyl)phenoxy]quinoline-3-carboxamide
SMILESCOC[C@H](C)NC(=O)c1cnc2c(Oc3ccc(C(F)(F)F)cc3)cccc2c1
InChIInChI=1S/C21H19F3N2O3/c1-13(12-28-2)26-20(27)15-10-14-4-3-5-18(19(14)25-11-15)29-17-8-6-16(7-9-17)21(22,23)24/h3-11,13H,12H2,1-2H3,(H,26,27)/t13-/m0/s1
InChIKeyPKYGTAZZWUIPAN-ZDUSSCGKSA-N
MW404.39 g/mol
LogP4.81
Rot. Bonds6

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

N-[(2S)-1-methoxypropan-2-yl]-8-[4-(trifluoromethyl)phenoxy]quinoline-3-carboxamide (PubChem CID 155214032) has the molecular formula C21H19F3N2O3 and a molecular weight of 404.39 g/mol. Its IUPAC name is N-[(2S)-1-methoxypropan-2-yl]-8-[4-(trifluoromethyl)phenoxy]quinoline-3-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-methoxypropan-2-yl]-8-[4-(trifluoromethyl)phenoxy]quinoline-3-carboxamide
PubChem CID155214032
Molecular FormulaC21H19F3N2O3
Molecular Weight404.39 g/mol
Exact Mass404.13
IUPAC NameN-[(2S)-1-methoxypropan-2-yl]-8-[4-(trifluoromethyl)phenoxy]quinoline-3-carboxamide
SMILESCOC[C@H](C)NC(=O)c1cnc2c(Oc3ccc(C(F)(F)F)cc3)cccc2c1
InChIInChI=1S/C21H19F3N2O3/c1-13(12-28-2)26-20(27)15-10-14-4-3-5-18(19(14)25-11-15)29-17-8-6-16(7-9-17)21(22,23)24/h3-11,13H,12H2,1-2H3,(H,26,27)/t13-/m0/s1
InChIKeyPKYGTAZZWUIPAN-ZDUSSCGKSA-N
XLogP4.81
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.39
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(2S)-1-methoxypropan-2-yl]-8-[4-(trifluoromethyl)phenoxy]quinoline-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2S)-1-methoxypropan-2-yl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide
CID 155214013
N-[(1R)-1-pyridin-2-ylpropyl]-8-[4-(trifluoromethyl)phenoxy]quinoline-3-carboxamide
CID 155262090
N-[(1R)-1-(1H-benzimidazol-4-yl)ethyl]-8-[4-(trifluoromethyl)phenoxy]quinoline-3-carboxamide
CID 155214162
6-methoxy-N-(1-pyridin-2-ylethyl)-8-[4-(trifluoromethyl)phenoxy]quinoline-3-carboxamide
CID 155213963
N-(4-aminobutan-2-yl)-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide
CID 155214020
N-[(2R)-1-hydroxypropan-2-yl]-5-(6-methyl-2-pyridinyl)-6-[4-(trifluoromethyl)phenoxy]pyridine-3-carboxamide
CID 170701261
[5-[[(2R)-1-hydroxypropan-2-yl]carbamoyl]-2-[4-(trifluoromethyl)phenoxy]-3-pyridinyl]boronic acid
CID 170701106
N-[(1R)-1-(1-methylimidazol-4-yl)ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide
CID 155213843
N-[(2R,3S)-4-amino-3-hydroxybutan-2-yl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide
CID 155223368
5-(3-fluorophenyl)-N-[(2R)-1-hydroxypropan-2-yl]-6-[4-(trifluoromethyl)phenoxy]pyridine-3-carboxamide
CID 170701061
N-(1-methoxypropan-2-yl)-2-[4-(trifluoromethyl)phenoxy]acetamide
CID 84603980
N-[(1S)-1-(3-fluoroazetidin-3-yl)ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide
CID 155213896

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-methoxypropan-2-yl]-8-[4-(trifluoromethyl)phenoxy]quinoline-3-carboxamide?
The IUPAC name of N-[(2S)-1-methoxypropan-2-yl]-8-[4-(trifluoromethyl)phenoxy]quinoline-3-carboxamide (CID 155214032) is N-[(2S)-1-methoxypropan-2-yl]-8-[4-(trifluoromethyl)phenoxy]quinoline-3-carboxamide.
What is the SMILES notation for N-[(2S)-1-methoxypropan-2-yl]-8-[4-(trifluoromethyl)phenoxy]quinoline-3-carboxamide?
The canonical SMILES for N-[(2S)-1-methoxypropan-2-yl]-8-[4-(trifluoromethyl)phenoxy]quinoline-3-carboxamide is COC[C@H](C)NC(=O)c1cnc2c(Oc3ccc(C(F)(F)F)cc3)cccc2c1.
What is the InChIKey of N-[(2S)-1-methoxypropan-2-yl]-8-[4-(trifluoromethyl)phenoxy]quinoline-3-carboxamide?
The InChIKey is PKYGTAZZWUIPAN-ZDUSSCGKSA-N. The full InChI is InChI=1S/C21H19F3N2O3/c1-13(12-28-2)26-20(27)15-10-14-4-3-5-18(19(14)25-11-15)29-17-8-6-16(7-9-17)21(22,23)24/h3-11,13H,12H2,1-2H3,(H,26,27)/t13-/m0/s1.
What are the key properties of N-[(2S)-1-methoxypropan-2-yl]-8-[4-(trifluoromethyl)phenoxy]quinoline-3-carboxamide?
N-[(2S)-1-methoxypropan-2-yl]-8-[4-(trifluoromethyl)phenoxy]quinoline-3-carboxamide has a molecular weight of 404.39 g/mol, XLogP of 4.81, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-methoxypropan-2-yl]-8-[4-(trifluoromethyl)phenoxy]quinoline-3-carboxamide is sourced from PubChem (CID 155214032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).