5-(8-cyanoquinoxalin-5-yl)-N-[[(2S)-morpholin-2-yl]methyl]-5-azaspiro[2.4]heptane-7-carboxamide

C21H24N6O2 — CID 146440460

IUPAC5-(8-cyanoquinoxalin-5-yl)-N-[[(2S)-morpholin-2-yl]methyl]-5-azaspiro[2.4]heptane-7-carboxamide
SMILESN#Cc1ccc(N2CC(C(=O)NC[C@@H]3CNCCO3)C3(CC3)C2)c2nccnc12
InChIInChI=1S/C21H24N6O2/c22-9-14-1-2-17(19-18(14)24-5-6-25-19)27-12-16(21(13-27)3-4-21)20(28)26-11-15-10-23-7-8-29-15/h1-2,5-6,15-16,23H,3-4,7-8,10-13H2,(H,26,28)/t15-,16?/m0/s1
InChIKeyFCRLSZPGIVMALJ-VYRBHSGPSA-N
MW392.46 g/mol
LogP0.82
Rot. Bonds4

About 5-(8-cyanoquinoxalin-5-yl)-N-[[(2S)-morpholin-2-yl]methyl]-5-azaspiro[2.4]heptane-7-carboxamide

5-(8-cyanoquinoxalin-5-yl)-N-[[(2S)-morpholin-2-yl]methyl]-5-azaspiro[2.4]heptane-7-carboxamide (PubChem CID 146440460) has the molecular formula C21H24N6O2 and a molecular weight of 392.46 g/mol. Its IUPAC name is 5-(8-cyanoquinoxalin-5-yl)-N-[[(2S)-morpholin-2-yl]methyl]-5-azaspiro[2.4]heptane-7-carboxamide.

Molecular Properties

Compound Name5-(8-cyanoquinoxalin-5-yl)-N-[[(2S)-morpholin-2-yl]methyl]-5-azaspiro[2.4]heptane-7-carboxamide
PubChem CID146440460
Molecular FormulaC21H24N6O2
Molecular Weight392.46 g/mol
Exact Mass392.20
IUPAC Name5-(8-cyanoquinoxalin-5-yl)-N-[[(2S)-morpholin-2-yl]methyl]-5-azaspiro[2.4]heptane-7-carboxamide
SMILESN#Cc1ccc(N2CC(C(=O)NC[C@@H]3CNCCO3)C3(CC3)C2)c2nccnc12
InChIInChI=1S/C21H24N6O2/c22-9-14-1-2-17(19-18(14)24-5-6-25-19)27-12-16(21(13-27)3-4-21)20(28)26-11-15-10-23-7-8-29-15/h1-2,5-6,15-16,23H,3-4,7-8,10-13H2,(H,26,28)/t15-,16?/m0/s1
InChIKeyFCRLSZPGIVMALJ-VYRBHSGPSA-N
XLogP0.82
TPSA103.17 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-(8-cyanoquinoxalin-5-yl)-N-[[(2S)-morpholin-2-yl]methyl]-5-azaspiro[2.4]heptane-7-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

(7R)-5-(8-cyanoquinoxalin-5-yl)-N-(1-methylpiperidin-4-yl)-5-azaspiro[2.4]heptane-7-carboxamide
CID 146424788
(2R,6R)-4-(8-cyanoquinolin-5-yl)-6-methyl-N-[[(2S)-morpholin-2-yl]methyl]morpholine-2-carboxamide;hydrochloride
CID 118007484
3-(8-cyanoquinoxalin-5-yl)-N-[(4-methylmorpholin-2-yl)methyl]-5-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane-1-carboxamide
CID 165124329
(2S)-N-[[(2S,6R)-4-(8-cyanoquinoxalin-5-yl)-6-methylmorpholin-2-yl]methyl]-2-hydroxypropanamide
CID 146329223
ethane;8-[2-(hydroxymethyl)morpholin-4-yl]quinoxaline-5-carbonitrile
CID 153398932
4-(8-cyanoquinoxalin-5-yl)-N-[[(3R)-3-fluoropyrrolidin-3-yl]methyl]-6-methylmorpholine-2-carboxamide
CID 159569353
2-morpholin-4-yl-5-[5-[[(2S)-morpholin-2-yl]methylamino]pyrido[3,4-b]pyrazin-7-yl]benzonitrile
CID 71113373
8-[(2R,6R)-2-[(7S)-7-amino-5-azaspiro[2.4]heptane-5-carbonyl]-6-methylmorpholin-4-yl]quinoxaline-5-carbonitrile
CID 146329469
N-[1-(8-cyanoquinoxalin-5-yl)-4-methylpyrrolidin-3-yl]-2-(4-fluoropiperidin-4-yl)acetamide
CID 137424899
N-[1-(8-cyanoquinoxalin-5-yl)-5-methylpiperidin-3-yl]-2-(4-fluoropiperidin-4-yl)acetamide
CID 146316841
N-[1-(8-cyanoquinoxalin-5-yl)-5,5-difluoropiperidin-3-yl]-2-morpholin-4-ylpropanamide
CID 129241013
4-(8-cyanoquinoxalin-5-yl)-N-[(3S,4R)-4-fluoropyrrolidin-3-yl]-6-methylmorpholine-2-carboxamide
CID 158089904

Frequently Asked Questions

What is the IUPAC name of 5-(8-cyanoquinoxalin-5-yl)-N-[[(2S)-morpholin-2-yl]methyl]-5-azaspiro[2.4]heptane-7-carboxamide?
The IUPAC name of 5-(8-cyanoquinoxalin-5-yl)-N-[[(2S)-morpholin-2-yl]methyl]-5-azaspiro[2.4]heptane-7-carboxamide (CID 146440460) is 5-(8-cyanoquinoxalin-5-yl)-N-[[(2S)-morpholin-2-yl]methyl]-5-azaspiro[2.4]heptane-7-carboxamide.
What is the SMILES notation for 5-(8-cyanoquinoxalin-5-yl)-N-[[(2S)-morpholin-2-yl]methyl]-5-azaspiro[2.4]heptane-7-carboxamide?
The canonical SMILES for 5-(8-cyanoquinoxalin-5-yl)-N-[[(2S)-morpholin-2-yl]methyl]-5-azaspiro[2.4]heptane-7-carboxamide is N#Cc1ccc(N2CC(C(=O)NC[C@@H]3CNCCO3)C3(CC3)C2)c2nccnc12.
What is the InChIKey of 5-(8-cyanoquinoxalin-5-yl)-N-[[(2S)-morpholin-2-yl]methyl]-5-azaspiro[2.4]heptane-7-carboxamide?
The InChIKey is FCRLSZPGIVMALJ-VYRBHSGPSA-N. The full InChI is InChI=1S/C21H24N6O2/c22-9-14-1-2-17(19-18(14)24-5-6-25-19)27-12-16(21(13-27)3-4-21)20(28)26-11-15-10-23-7-8-29-15/h1-2,5-6,15-16,23H,3-4,7-8,10-13H2,(H,26,28)/t15-,16?/m0/s1.
What are the key properties of 5-(8-cyanoquinoxalin-5-yl)-N-[[(2S)-morpholin-2-yl]methyl]-5-azaspiro[2.4]heptane-7-carboxamide?
5-(8-cyanoquinoxalin-5-yl)-N-[[(2S)-morpholin-2-yl]methyl]-5-azaspiro[2.4]heptane-7-carboxamide has a molecular weight of 392.46 g/mol, XLogP of 0.82, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(8-cyanoquinoxalin-5-yl)-N-[[(2S)-morpholin-2-yl]methyl]-5-azaspiro[2.4]heptane-7-carboxamide is sourced from PubChem (CID 146440460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).