(2S)-N-[[(2S,6R)-4-(8-cyanoquinoxalin-5-yl)-6-methylmorpholin-2-yl]methyl]-2-hydroxypropanamide

C18H21N5O3 — CID 146329223

IUPAC(2S)-N-[[(2S,6R)-4-(8-cyanoquinoxalin-5-yl)-6-methylmorpholin-2-yl]methyl]-2-hydroxypropanamide
SMILESC[C@@H]1CN(c2ccc(C#N)c3nccnc23)C[C@H](CNC(=O)[C@H](C)O)O1
InChIInChI=1S/C18H21N5O3/c1-11-9-23(10-14(26-11)8-22-18(25)12(2)24)15-4-3-13(7-19)16-17(15)21-6-5-20-16/h3-6,11-12,14,24H,8-10H2,1-2H3,(H,22,25)/t11-,12+,14+/m1/s1
InChIKeyQFYCJCXKGSWQCU-DYEKYZERSA-N
MW355.40 g/mol
LogP0.59
Rot. Bonds4

About (2S)-N-[[(2S,6R)-4-(8-cyanoquinoxalin-5-yl)-6-methylmorpholin-2-yl]methyl]-2-hydroxypropanamide

(2S)-N-[[(2S,6R)-4-(8-cyanoquinoxalin-5-yl)-6-methylmorpholin-2-yl]methyl]-2-hydroxypropanamide (PubChem CID 146329223) has the molecular formula C18H21N5O3 and a molecular weight of 355.40 g/mol. Its IUPAC name is (2S)-N-[[(2S,6R)-4-(8-cyanoquinoxalin-5-yl)-6-methylmorpholin-2-yl]methyl]-2-hydroxypropanamide.

Molecular Properties

Compound Name(2S)-N-[[(2S,6R)-4-(8-cyanoquinoxalin-5-yl)-6-methylmorpholin-2-yl]methyl]-2-hydroxypropanamide
PubChem CID146329223
Molecular FormulaC18H21N5O3
Molecular Weight355.40 g/mol
Exact Mass355.16
IUPAC Name(2S)-N-[[(2S,6R)-4-(8-cyanoquinoxalin-5-yl)-6-methylmorpholin-2-yl]methyl]-2-hydroxypropanamide
SMILESC[C@@H]1CN(c2ccc(C#N)c3nccnc23)C[C@H](CNC(=O)[C@H](C)O)O1
InChIInChI=1S/C18H21N5O3/c1-11-9-23(10-14(26-11)8-22-18(25)12(2)24)15-4-3-13(7-19)16-17(15)21-6-5-20-16/h3-6,11-12,14,24H,8-10H2,1-2H3,(H,22,25)/t11-,12+,14+/m1/s1
InChIKeyQFYCJCXKGSWQCU-DYEKYZERSA-N
XLogP0.59
TPSA111.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (2S)-N-[[(2S,6R)-4-(8-cyanoquinoxalin-5-yl)-6-methylmorpholin-2-yl]methyl]-2-hydroxypropanamide 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

4-(8-cyanoquinoxalin-5-yl)-N-[(2R)-2-hydroxypropyl]-6-methylmorpholine-2-carboxamide
CID 158196372
N-[[(2S,6R)-4-(8-cyanoquinolin-5-yl)-6-methylmorpholin-2-yl]methyl]-2,2-dimethylpropanamide
CID 118007348
4-(8-cyanoquinoxalin-5-yl)-N-(2-hydroxy-3-methoxypropyl)-6-methylmorpholine-2-carboxamide
CID 146329162
8-[2-(azetidin-3-ylsulfanylmethyl)-6-methylmorpholin-4-yl]quinoxaline-5-carbonitrile
CID 146329572
8-[(2S)-2-[(4-hydroxypiperidin-1-yl)methyl]-6-methylmorpholin-4-yl]quinoxaline-5-carbonitrile
CID 146329690
4-(8-cyanoquinoxalin-5-yl)-6-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]morpholine-2-carboxamide
CID 146329149
8-[(2S,6R)-2-[[4-(diethylamino)piperidin-1-yl]methyl]-6-methylmorpholin-4-yl]quinoxaline-5-carbonitrile
CID 146329141
4-(8-cyanoquinoxalin-5-yl)-N-[(3S,4R)-4-fluoropyrrolidin-3-yl]-6-methylmorpholine-2-carboxamide
CID 158089904
5-[(2S,6S)-2-(hydroxymethyl)-6-methylmorpholin-4-yl]quinoline-8-carbonitrile
CID 118006633
5-[(2R,6R)-2-(1-hydroxypropyl)-6-methylmorpholin-4-yl]quinoline-8-carbonitrile
CID 118007097
5-[(2R,6S)-2-methyl-6-[[(3-methyl-2-pyridinyl)amino]methyl]morpholin-4-yl]quinoline-8-carbonitrile
CID 118006692
4-(8-cyanoquinoxalin-5-yl)-N-[[(3R)-3-fluoropyrrolidin-3-yl]methyl]-6-methylmorpholine-2-carboxamide
CID 159569353

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[[(2S,6R)-4-(8-cyanoquinoxalin-5-yl)-6-methylmorpholin-2-yl]methyl]-2-hydroxypropanamide?
The IUPAC name of (2S)-N-[[(2S,6R)-4-(8-cyanoquinoxalin-5-yl)-6-methylmorpholin-2-yl]methyl]-2-hydroxypropanamide (CID 146329223) is (2S)-N-[[(2S,6R)-4-(8-cyanoquinoxalin-5-yl)-6-methylmorpholin-2-yl]methyl]-2-hydroxypropanamide.
What is the SMILES notation for (2S)-N-[[(2S,6R)-4-(8-cyanoquinoxalin-5-yl)-6-methylmorpholin-2-yl]methyl]-2-hydroxypropanamide?
The canonical SMILES for (2S)-N-[[(2S,6R)-4-(8-cyanoquinoxalin-5-yl)-6-methylmorpholin-2-yl]methyl]-2-hydroxypropanamide is C[C@@H]1CN(c2ccc(C#N)c3nccnc23)C[C@H](CNC(=O)[C@H](C)O)O1.
What is the InChIKey of (2S)-N-[[(2S,6R)-4-(8-cyanoquinoxalin-5-yl)-6-methylmorpholin-2-yl]methyl]-2-hydroxypropanamide?
The InChIKey is QFYCJCXKGSWQCU-DYEKYZERSA-N. The full InChI is InChI=1S/C18H21N5O3/c1-11-9-23(10-14(26-11)8-22-18(25)12(2)24)15-4-3-13(7-19)16-17(15)21-6-5-20-16/h3-6,11-12,14,24H,8-10H2,1-2H3,(H,22,25)/t11-,12+,14+/m1/s1.
What are the key properties of (2S)-N-[[(2S,6R)-4-(8-cyanoquinoxalin-5-yl)-6-methylmorpholin-2-yl]methyl]-2-hydroxypropanamide?
(2S)-N-[[(2S,6R)-4-(8-cyanoquinoxalin-5-yl)-6-methylmorpholin-2-yl]methyl]-2-hydroxypropanamide has a molecular weight of 355.40 g/mol, XLogP of 0.59, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[[(2S,6R)-4-(8-cyanoquinoxalin-5-yl)-6-methylmorpholin-2-yl]methyl]-2-hydroxypropanamide is sourced from PubChem (CID 146329223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).