4-(8-cyanoquinoxalin-5-yl)-6-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]morpholine-2-carboxamide

C21H26N6O2 — CID 146329149

IUPAC4-(8-cyanoquinoxalin-5-yl)-6-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]morpholine-2-carboxamide
SMILESCC1CN(c2ccc(C#N)c3nccnc23)CC(C(=O)NCC2CCCN2C)O1
InChIInChI=1S/C21H26N6O2/c1-14-12-27(17-6-5-15(10-22)19-20(17)24-8-7-23-19)13-18(29-14)21(28)25-11-16-4-3-9-26(16)2/h5-8,14,16,18H,3-4,9,11-13H2,1-2H3,(H,25,28)
InChIKeyIUIIBFRUOXAFSW-UHFFFAOYSA-N
MW394.48 g/mol
LogP1.31
Rot. Bonds4

About 4-(8-cyanoquinoxalin-5-yl)-6-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]morpholine-2-carboxamide

4-(8-cyanoquinoxalin-5-yl)-6-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]morpholine-2-carboxamide (PubChem CID 146329149) has the molecular formula C21H26N6O2 and a molecular weight of 394.48 g/mol. Its IUPAC name is 4-(8-cyanoquinoxalin-5-yl)-6-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]morpholine-2-carboxamide.

Molecular Properties

Compound Name4-(8-cyanoquinoxalin-5-yl)-6-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]morpholine-2-carboxamide
PubChem CID146329149
Molecular FormulaC21H26N6O2
Molecular Weight394.48 g/mol
Exact Mass394.21
IUPAC Name4-(8-cyanoquinoxalin-5-yl)-6-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]morpholine-2-carboxamide
SMILESCC1CN(c2ccc(C#N)c3nccnc23)CC(C(=O)NCC2CCCN2C)O1
InChIInChI=1S/C21H26N6O2/c1-14-12-27(17-6-5-15(10-22)19-20(17)24-8-7-23-19)13-18(29-14)21(28)25-11-16-4-3-9-26(16)2/h5-8,14,16,18H,3-4,9,11-13H2,1-2H3,(H,25,28)
InChIKeyIUIIBFRUOXAFSW-UHFFFAOYSA-N
XLogP1.31
TPSA94.38 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(8-cyanoquinoxalin-5-yl)-6-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]morpholine-2-carboxamide?
The IUPAC name of 4-(8-cyanoquinoxalin-5-yl)-6-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]morpholine-2-carboxamide (CID 146329149) is 4-(8-cyanoquinoxalin-5-yl)-6-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]morpholine-2-carboxamide.
What is the SMILES notation for 4-(8-cyanoquinoxalin-5-yl)-6-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]morpholine-2-carboxamide?
The canonical SMILES for 4-(8-cyanoquinoxalin-5-yl)-6-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]morpholine-2-carboxamide is CC1CN(c2ccc(C#N)c3nccnc23)CC(C(=O)NCC2CCCN2C)O1.
What is the InChIKey of 4-(8-cyanoquinoxalin-5-yl)-6-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]morpholine-2-carboxamide?
The InChIKey is IUIIBFRUOXAFSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O2/c1-14-12-27(17-6-5-15(10-22)19-20(17)24-8-7-23-19)13-18(29-14)21(28)25-11-16-4-3-9-26(16)2/h5-8,14,16,18H,3-4,9,11-13H2,1-2H3,(H,25,28).
What are the key properties of 4-(8-cyanoquinoxalin-5-yl)-6-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]morpholine-2-carboxamide?
4-(8-cyanoquinoxalin-5-yl)-6-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]morpholine-2-carboxamide has a molecular weight of 394.48 g/mol, XLogP of 1.31, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(8-cyanoquinoxalin-5-yl)-6-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]morpholine-2-carboxamide is sourced from PubChem (CID 146329149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).