4-(8-cyanoquinoxalin-5-yl)-N-[(2S)-2,3-dihydroxypropyl]-6-(trifluoromethyl)morpholine-2-carboxamide

C18H18F3N5O4 — CID 146329181

IUPAC4-(8-cyanoquinoxalin-5-yl)-N-[(2S)-2,3-dihydroxypropyl]-6-(trifluoromethyl)morpholine-2-carboxamide
SMILESN#Cc1ccc(N2CC(C(=O)NC[C@H](O)CO)OC(C(F)(F)F)C2)c2nccnc12
InChIInChI=1S/C18H18F3N5O4/c19-18(20,21)14-8-26(7-13(30-14)17(29)25-6-11(28)9-27)12-2-1-10(5-22)15-16(12)24-4-3-23-15/h1-4,11,13-14,27-28H,6-9H2,(H,25,29)/t11-,13?,14?/m0/s1
InChIKeyHVCRFPKRQJNDEH-XGNXJENSSA-N
MW425.37 g/mol
LogP0.11
Rot. Bonds5

About 4-(8-cyanoquinoxalin-5-yl)-N-[(2S)-2,3-dihydroxypropyl]-6-(trifluoromethyl)morpholine-2-carboxamide

4-(8-cyanoquinoxalin-5-yl)-N-[(2S)-2,3-dihydroxypropyl]-6-(trifluoromethyl)morpholine-2-carboxamide (PubChem CID 146329181) has the molecular formula C18H18F3N5O4 and a molecular weight of 425.37 g/mol. Its IUPAC name is 4-(8-cyanoquinoxalin-5-yl)-N-[(2S)-2,3-dihydroxypropyl]-6-(trifluoromethyl)morpholine-2-carboxamide.

Molecular Properties

Compound Name4-(8-cyanoquinoxalin-5-yl)-N-[(2S)-2,3-dihydroxypropyl]-6-(trifluoromethyl)morpholine-2-carboxamide
PubChem CID146329181
Molecular FormulaC18H18F3N5O4
Molecular Weight425.37 g/mol
Exact Mass425.13
IUPAC Name4-(8-cyanoquinoxalin-5-yl)-N-[(2S)-2,3-dihydroxypropyl]-6-(trifluoromethyl)morpholine-2-carboxamide
SMILESN#Cc1ccc(N2CC(C(=O)NC[C@H](O)CO)OC(C(F)(F)F)C2)c2nccnc12
InChIInChI=1S/C18H18F3N5O4/c19-18(20,21)14-8-26(7-13(30-14)17(29)25-6-11(28)9-27)12-2-1-10(5-22)15-16(12)24-4-3-23-15/h1-4,11,13-14,27-28H,6-9H2,(H,25,29)/t11-,13?,14?/m0/s1
InChIKeyHVCRFPKRQJNDEH-XGNXJENSSA-N
XLogP0.11
TPSA131.60 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.37
LogP ≤ 50.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

4-(8-cyanoquinoxalin-5-yl)-N-[(2R)-2-hydroxypropyl]-6-methylmorpholine-2-carboxamide
CID 158196372
4-(8-cyanoquinoxalin-5-yl)-N-(2-hydroxy-3-methoxypropyl)-6-methylmorpholine-2-carboxamide
CID 146329162
(2R,6R)-4-(8-cyanoquinolin-5-yl)-N-(2,2-difluoroethyl)-6-methylmorpholine-2-carboxamide
CID 118007404
4-(8-cyanoquinoxalin-5-yl)-N-[(3S,4R)-4-fluoropyrrolidin-3-yl]-6-methylmorpholine-2-carboxamide
CID 158089904
4-(8-cyanoquinoxalin-5-yl)-N-[[(3R)-3-fluoropyrrolidin-3-yl]methyl]-6-methylmorpholine-2-carboxamide
CID 159569353
(2R,6R)-4-(8-cyanoquinolin-5-yl)-6-methyl-N-[(3S)-4,4,4-trifluoro-3-hydroxybutyl]morpholine-2-carboxamide
CID 118007420
4-(8-cyanoquinoxalin-5-yl)-6-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]morpholine-2-carboxamide
CID 146329149
N-[1-(8-cyanoquinoxalin-5-yl)-5-(trifluoromethyl)piperidin-3-yl]-3,3-dimethylbutanamide
CID 129241040
5-[(2S,6R)-2-(hydroxymethyl)-6-(trifluoromethyl)morpholin-4-yl]quinoline-8-carbonitrile
CID 146316832
(2S)-N-[[(2S,6R)-4-(8-cyanoquinoxalin-5-yl)-6-methylmorpholin-2-yl]methyl]-2-hydroxypropanamide
CID 146329223
8-[(2S,6S)-2-[(2-oxo-1,7-diazaspiro[3.5]nonan-7-yl)methyl]-6-(trifluoromethyl)morpholin-4-yl]quinoxaline-5-carbonitrile
CID 156694864
(3R,4R)-1-(8-cyanoquinoxalin-5-yl)-4-fluoropyrrolidine-3-carboxylic acid
CID 162471317

Frequently Asked Questions

What is the IUPAC name of 4-(8-cyanoquinoxalin-5-yl)-N-[(2S)-2,3-dihydroxypropyl]-6-(trifluoromethyl)morpholine-2-carboxamide?
The IUPAC name of 4-(8-cyanoquinoxalin-5-yl)-N-[(2S)-2,3-dihydroxypropyl]-6-(trifluoromethyl)morpholine-2-carboxamide (CID 146329181) is 4-(8-cyanoquinoxalin-5-yl)-N-[(2S)-2,3-dihydroxypropyl]-6-(trifluoromethyl)morpholine-2-carboxamide.
What is the SMILES notation for 4-(8-cyanoquinoxalin-5-yl)-N-[(2S)-2,3-dihydroxypropyl]-6-(trifluoromethyl)morpholine-2-carboxamide?
The canonical SMILES for 4-(8-cyanoquinoxalin-5-yl)-N-[(2S)-2,3-dihydroxypropyl]-6-(trifluoromethyl)morpholine-2-carboxamide is N#Cc1ccc(N2CC(C(=O)NC[C@H](O)CO)OC(C(F)(F)F)C2)c2nccnc12.
What is the InChIKey of 4-(8-cyanoquinoxalin-5-yl)-N-[(2S)-2,3-dihydroxypropyl]-6-(trifluoromethyl)morpholine-2-carboxamide?
The InChIKey is HVCRFPKRQJNDEH-XGNXJENSSA-N. The full InChI is InChI=1S/C18H18F3N5O4/c19-18(20,21)14-8-26(7-13(30-14)17(29)25-6-11(28)9-27)12-2-1-10(5-22)15-16(12)24-4-3-23-15/h1-4,11,13-14,27-28H,6-9H2,(H,25,29)/t11-,13?,14?/m0/s1.
What are the key properties of 4-(8-cyanoquinoxalin-5-yl)-N-[(2S)-2,3-dihydroxypropyl]-6-(trifluoromethyl)morpholine-2-carboxamide?
4-(8-cyanoquinoxalin-5-yl)-N-[(2S)-2,3-dihydroxypropyl]-6-(trifluoromethyl)morpholine-2-carboxamide has a molecular weight of 425.37 g/mol, XLogP of 0.11, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(8-cyanoquinoxalin-5-yl)-N-[(2S)-2,3-dihydroxypropyl]-6-(trifluoromethyl)morpholine-2-carboxamide is sourced from PubChem (CID 146329181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).