4-(8-cyanoquinoxalin-5-yl)-N-[(2R)-2-hydroxypropyl]-6-methylmorpholine-2-carboxamide

C36H42N10O6 — CID 158196372

IUPAC4-(8-cyanoquinoxalin-5-yl)-N-[(2R)-2-hydroxypropyl]-6-methylmorpholine-2-carboxamide
SMILESCC1CN(c2ccc(C#N)c3nccnc23)CC(C(=O)NC[C@@H](C)O)O1.CC1CN(c2ccc(C#N)c3nccnc23)CC(C(=O)NC[C@@H](C)O)O1
InChIInChI=1S/2C18H21N5O3/c2*1-11(24)8-22-18(25)15-10-23(9-12(2)26-15)14-4-3-13(7-19)16-17(14)21-6-5-20-16/h2*3-6,11-12,15,24H,8-10H2,1-2H3,(H,22,25)/t2*11-,12?,15?/m11/s1
InChIKeyGAJSBYGQOLYACO-CDADTCJASA-N
MW710.80 g/mol
LogP1.18
Rot. Bonds8

About 4-(8-cyanoquinoxalin-5-yl)-N-[(2R)-2-hydroxypropyl]-6-methylmorpholine-2-carboxamide

4-(8-cyanoquinoxalin-5-yl)-N-[(2R)-2-hydroxypropyl]-6-methylmorpholine-2-carboxamide (PubChem CID 158196372) has the molecular formula C36H42N10O6 and a molecular weight of 710.80 g/mol. Its IUPAC name is 4-(8-cyanoquinoxalin-5-yl)-N-[(2R)-2-hydroxypropyl]-6-methylmorpholine-2-carboxamide.

Molecular Properties

Compound Name4-(8-cyanoquinoxalin-5-yl)-N-[(2R)-2-hydroxypropyl]-6-methylmorpholine-2-carboxamide
PubChem CID158196372
Molecular FormulaC36H42N10O6
Molecular Weight710.80 g/mol
Exact Mass710.33
IUPAC Name4-(8-cyanoquinoxalin-5-yl)-N-[(2R)-2-hydroxypropyl]-6-methylmorpholine-2-carboxamide
SMILESCC1CN(c2ccc(C#N)c3nccnc23)CC(C(=O)NC[C@@H](C)O)O1.CC1CN(c2ccc(C#N)c3nccnc23)CC(C(=O)NC[C@@H](C)O)O1
InChIInChI=1S/2C18H21N5O3/c2*1-11(24)8-22-18(25)15-10-23(9-12(2)26-15)14-4-3-13(7-19)16-17(14)21-6-5-20-16/h2*3-6,11-12,15,24H,8-10H2,1-2H3,(H,22,25)/t2*11-,12?,15?/m11/s1
InChIKeyGAJSBYGQOLYACO-CDADTCJASA-N
XLogP1.18
TPSA222.74 Ų
H-Bond Donors4
H-Bond Acceptors14
Rotatable Bonds8
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500710.80
LogP ≤ 51.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1014

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Related Compounds

4-(8-cyanoquinoxalin-5-yl)-N-(2-hydroxy-3-methoxypropyl)-6-methylmorpholine-2-carboxamide
CID 146329162
4-(8-cyanoquinoxalin-5-yl)-6-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]morpholine-2-carboxamide
CID 146329149
(2R,6R)-4-(8-cyanoquinolin-5-yl)-N-(2,2-difluoroethyl)-6-methylmorpholine-2-carboxamide
CID 118007404
(2S)-N-[[(2S,6R)-4-(8-cyanoquinoxalin-5-yl)-6-methylmorpholin-2-yl]methyl]-2-hydroxypropanamide
CID 146329223
4-(8-cyanoquinoxalin-5-yl)-N-[[(3R)-3-fluoropyrrolidin-3-yl]methyl]-6-methylmorpholine-2-carboxamide
CID 159569353
4-(8-cyanoquinoxalin-5-yl)-N-[(3S,4R)-4-fluoropyrrolidin-3-yl]-6-methylmorpholine-2-carboxamide
CID 158089904
4-(8-cyanoquinoxalin-5-yl)-N-[(2S)-2,3-dihydroxypropyl]-6-(trifluoromethyl)morpholine-2-carboxamide
CID 146329181
(2R,6R)-4-(8-cyanoquinolin-5-yl)-N,6-dimethylmorpholine-2-carboxamide
CID 118007139
(2R,6R)-4-(8-cyanoquinoxalin-5-yl)-N-(2,6-dioxopiperidin-3-yl)-6-methylmorpholine-2-carboxamide
CID 146329334
(2R,6R)-4-(8-cyanoquinolin-5-yl)-6-methyl-N-[(3S)-4,4,4-trifluoro-3-hydroxybutyl]morpholine-2-carboxamide
CID 118007420
(2R,6R)-4-(8-cyanoquinolin-5-yl)-6-methyl-N-(pyridin-2-ylmethyl)morpholine-2-carboxamide
CID 118006489
(2R,6R)-4-(8-cyanoquinolin-5-yl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-6-methylmorpholine-2-carboxamide
CID 118007199

Frequently Asked Questions

What is the IUPAC name of 4-(8-cyanoquinoxalin-5-yl)-N-[(2R)-2-hydroxypropyl]-6-methylmorpholine-2-carboxamide?
The IUPAC name of 4-(8-cyanoquinoxalin-5-yl)-N-[(2R)-2-hydroxypropyl]-6-methylmorpholine-2-carboxamide (CID 158196372) is 4-(8-cyanoquinoxalin-5-yl)-N-[(2R)-2-hydroxypropyl]-6-methylmorpholine-2-carboxamide.
What is the SMILES notation for 4-(8-cyanoquinoxalin-5-yl)-N-[(2R)-2-hydroxypropyl]-6-methylmorpholine-2-carboxamide?
The canonical SMILES for 4-(8-cyanoquinoxalin-5-yl)-N-[(2R)-2-hydroxypropyl]-6-methylmorpholine-2-carboxamide is CC1CN(c2ccc(C#N)c3nccnc23)CC(C(=O)NC[C@@H](C)O)O1.CC1CN(c2ccc(C#N)c3nccnc23)CC(C(=O)NC[C@@H](C)O)O1.
What is the InChIKey of 4-(8-cyanoquinoxalin-5-yl)-N-[(2R)-2-hydroxypropyl]-6-methylmorpholine-2-carboxamide?
The InChIKey is GAJSBYGQOLYACO-CDADTCJASA-N. The full InChI is InChI=1S/2C18H21N5O3/c2*1-11(24)8-22-18(25)15-10-23(9-12(2)26-15)14-4-3-13(7-19)16-17(14)21-6-5-20-16/h2*3-6,11-12,15,24H,8-10H2,1-2H3,(H,22,25)/t2*11-,12?,15?/m11/s1.
What are the key properties of 4-(8-cyanoquinoxalin-5-yl)-N-[(2R)-2-hydroxypropyl]-6-methylmorpholine-2-carboxamide?
4-(8-cyanoquinoxalin-5-yl)-N-[(2R)-2-hydroxypropyl]-6-methylmorpholine-2-carboxamide has a molecular weight of 710.80 g/mol, XLogP of 1.18, 8 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(8-cyanoquinoxalin-5-yl)-N-[(2R)-2-hydroxypropyl]-6-methylmorpholine-2-carboxamide is sourced from PubChem (CID 158196372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).