4-(8-cyanoquinoxalin-5-yl)-N-(2-hydroxy-3-methoxypropyl)-6-methylmorpholine-2-carboxamide

C19H23N5O4 — CID 146329162

IUPAC4-(8-cyanoquinoxalin-5-yl)-N-(2-hydroxy-3-methoxypropyl)-6-methylmorpholine-2-carboxamide
SMILESCOCC(O)CNC(=O)C1CN(c2ccc(C#N)c3nccnc23)CC(C)O1
InChIInChI=1S/C19H23N5O4/c1-12-9-24(10-16(28-12)19(26)23-8-14(25)11-27-2)15-4-3-13(7-20)17-18(15)22-6-5-21-17/h3-6,12,14,16,25H,8-11H2,1-2H3,(H,23,26)
InChIKeySQZBMOUORMECQM-UHFFFAOYSA-N
MW385.42 g/mol
LogP0.22
Rot. Bonds6

About 4-(8-cyanoquinoxalin-5-yl)-N-(2-hydroxy-3-methoxypropyl)-6-methylmorpholine-2-carboxamide

4-(8-cyanoquinoxalin-5-yl)-N-(2-hydroxy-3-methoxypropyl)-6-methylmorpholine-2-carboxamide (PubChem CID 146329162) has the molecular formula C19H23N5O4 and a molecular weight of 385.42 g/mol. Its IUPAC name is 4-(8-cyanoquinoxalin-5-yl)-N-(2-hydroxy-3-methoxypropyl)-6-methylmorpholine-2-carboxamide.

Molecular Properties

Compound Name4-(8-cyanoquinoxalin-5-yl)-N-(2-hydroxy-3-methoxypropyl)-6-methylmorpholine-2-carboxamide
PubChem CID146329162
Molecular FormulaC19H23N5O4
Molecular Weight385.42 g/mol
Exact Mass385.18
IUPAC Name4-(8-cyanoquinoxalin-5-yl)-N-(2-hydroxy-3-methoxypropyl)-6-methylmorpholine-2-carboxamide
SMILESCOCC(O)CNC(=O)C1CN(c2ccc(C#N)c3nccnc23)CC(C)O1
InChIInChI=1S/C19H23N5O4/c1-12-9-24(10-16(28-12)19(26)23-8-14(25)11-27-2)15-4-3-13(7-20)17-18(15)22-6-5-21-17/h3-6,12,14,16,25H,8-11H2,1-2H3,(H,23,26)
InChIKeySQZBMOUORMECQM-UHFFFAOYSA-N
XLogP0.22
TPSA120.60 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 50.22
H-Bond Donors ≤ 52
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
(2R,6R)-4-(8-cyanoquinolin-5-yl)-N-(2,2-difluoroethyl)-6-methylmorpholine-2-carboxamide
CID 118007404
4-(8-cyanoquinoxalin-5-yl)-N-[(2S)-2,3-dihydroxypropyl]-6-(trifluoromethyl)morpholine-2-carboxamide
CID 146329181
4-(8-cyanoquinoxalin-5-yl)-6-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]morpholine-2-carboxamide
CID 146329149
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
(2S)-N-[[(2S,6R)-4-(8-cyanoquinoxalin-5-yl)-6-methylmorpholin-2-yl]methyl]-2-hydroxypropanamide
CID 146329223
(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
N-[(1R,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-4-(8-cyanoquinolin-5-yl)-6-methylmorpholine-2-carboxamide
CID 140735605
8-[(2R,6R)-2-[(7S)-7-amino-5-azaspiro[2.4]heptane-5-carbonyl]-6-methylmorpholin-4-yl]quinoxaline-5-carbonitrile
CID 146329469

Frequently Asked Questions

What is the IUPAC name of 4-(8-cyanoquinoxalin-5-yl)-N-(2-hydroxy-3-methoxypropyl)-6-methylmorpholine-2-carboxamide?
The IUPAC name of 4-(8-cyanoquinoxalin-5-yl)-N-(2-hydroxy-3-methoxypropyl)-6-methylmorpholine-2-carboxamide (CID 146329162) is 4-(8-cyanoquinoxalin-5-yl)-N-(2-hydroxy-3-methoxypropyl)-6-methylmorpholine-2-carboxamide.
What is the SMILES notation for 4-(8-cyanoquinoxalin-5-yl)-N-(2-hydroxy-3-methoxypropyl)-6-methylmorpholine-2-carboxamide?
The canonical SMILES for 4-(8-cyanoquinoxalin-5-yl)-N-(2-hydroxy-3-methoxypropyl)-6-methylmorpholine-2-carboxamide is COCC(O)CNC(=O)C1CN(c2ccc(C#N)c3nccnc23)CC(C)O1.
What is the InChIKey of 4-(8-cyanoquinoxalin-5-yl)-N-(2-hydroxy-3-methoxypropyl)-6-methylmorpholine-2-carboxamide?
The InChIKey is SQZBMOUORMECQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O4/c1-12-9-24(10-16(28-12)19(26)23-8-14(25)11-27-2)15-4-3-13(7-20)17-18(15)22-6-5-21-17/h3-6,12,14,16,25H,8-11H2,1-2H3,(H,23,26).
What are the key properties of 4-(8-cyanoquinoxalin-5-yl)-N-(2-hydroxy-3-methoxypropyl)-6-methylmorpholine-2-carboxamide?
4-(8-cyanoquinoxalin-5-yl)-N-(2-hydroxy-3-methoxypropyl)-6-methylmorpholine-2-carboxamide has a molecular weight of 385.42 g/mol, XLogP of 0.22, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(8-cyanoquinoxalin-5-yl)-N-(2-hydroxy-3-methoxypropyl)-6-methylmorpholine-2-carboxamide is sourced from PubChem (CID 146329162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).