N-[2-[[2-[(1S,2R)-2-hydroxycyclopentyl]acetyl]-methylamino]ethyl]-N-methyl-3-oxo-4H-quinoxaline-2-carboxamide

C20H26N4O4 — CID 166379452

IUPACN-[2-[[2-[(1S,2R)-2-hydroxycyclopentyl]acetyl]-methylamino]ethyl]-N-methyl-3-oxo-4H-quinoxaline-2-carboxamide
SMILESCN(CCN(C)C(=O)c1nc2ccccc2[nH]c1=O)C(=O)C[C@@H]1CCC[C@H]1O
InChIInChI=1S/C20H26N4O4/c1-23(17(26)12-13-6-5-9-16(13)25)10-11-24(2)20(28)18-19(27)22-15-8-4-3-7-14(15)21-18/h3-4,7-8,13,16,25H,5-6,9-12H2,1-2H3,(H,22,27)/t13-,16+/m0/s1
InChIKeyGCYDYFTVXIUHHL-XJKSGUPXSA-N
MW386.45 g/mol
LogP1.00
Rot. Bonds6

About N-[2-[[2-[(1S,2R)-2-hydroxycyclopentyl]acetyl]-methylamino]ethyl]-N-methyl-3-oxo-4H-quinoxaline-2-carboxamide

N-[2-[[2-[(1S,2R)-2-hydroxycyclopentyl]acetyl]-methylamino]ethyl]-N-methyl-3-oxo-4H-quinoxaline-2-carboxamide (PubChem CID 166379452) has the molecular formula C20H26N4O4 and a molecular weight of 386.45 g/mol. Its IUPAC name is N-[2-[[2-[(1S,2R)-2-hydroxycyclopentyl]acetyl]-methylamino]ethyl]-N-methyl-3-oxo-4H-quinoxaline-2-carboxamide.

Molecular Properties

Compound NameN-[2-[[2-[(1S,2R)-2-hydroxycyclopentyl]acetyl]-methylamino]ethyl]-N-methyl-3-oxo-4H-quinoxaline-2-carboxamide
PubChem CID166379452
Molecular FormulaC20H26N4O4
Molecular Weight386.45 g/mol
Exact Mass386.20
IUPAC NameN-[2-[[2-[(1S,2R)-2-hydroxycyclopentyl]acetyl]-methylamino]ethyl]-N-methyl-3-oxo-4H-quinoxaline-2-carboxamide
SMILESCN(CCN(C)C(=O)c1nc2ccccc2[nH]c1=O)C(=O)C[C@@H]1CCC[C@H]1O
InChIInChI=1S/C20H26N4O4/c1-23(17(26)12-13-6-5-9-16(13)25)10-11-24(2)20(28)18-19(27)22-15-8-4-3-7-14(15)21-18/h3-4,7-8,13,16,25H,5-6,9-12H2,1-2H3,(H,22,27)/t13-,16+/m0/s1
InChIKeyGCYDYFTVXIUHHL-XJKSGUPXSA-N
XLogP1.00
TPSA106.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[2-[[2-[(1S,2R)-2-hydroxycyclopentyl]acetyl]-methylamino]ethyl]-N-methyl-3-oxo-4H-quinoxaline-2-carboxamide with MolForge

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Related Compounds

N-[2-(benzimidazol-1-yl)ethyl]-N-methyl-3-oxo-4H-quinoxaline-2-carboxamide
CID 146041516
N,N-diethyl-3-oxo-4H-quinoxaline-2-carboxamide
CID 10444556
N-[(3aR,6aS)-5-hydroxy-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-N-methyl-3-oxo-4H-quinoxaline-2-carboxamide
CID 157012168
3-[1-(1H-benzimidazol-2-yl)ethyl]-1-[(2-hydroxycyclohexyl)methyl]-1-methylurea
CID 110011834
N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-N-methyl-3-oxo-4H-quinoxaline-2-carboxamide
CID 56714839
3-[3-(1H-benzimidazol-2-yl)propyl]-1-[[(1R,2S)-2-hydroxycyclohexyl]methyl]-1-methylurea
CID 99578317
3-oxo-N-propyl-4H-quinoxaline-2-carboxamide
CID 143678915
3-[[cyclohexyl(methyl)amino]methyl]-1H-quinoxalin-2-one
CID 86774445
ethyl 3-oxo-4H-quinoxaline-2-carboxylate;methyl 8-azabicyclo[3.2.1]oct-6-ene-8-carboxylate
CID 159432928
2-[(2-hydroxycyclopentyl)methyl-methylamino]-1-(2-methyl-1H-indol-3-yl)propan-1-one
CID 109398298
2-[(3aR,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-(1H-benzimidazol-2-ylmethyl)-N-methylacetamide
CID 92854492
N-(1H-benzimidazol-2-ylmethyl)-N-methylcyclohexanecarboxamide
CID 36516588

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-[(1S,2R)-2-hydroxycyclopentyl]acetyl]-methylamino]ethyl]-N-methyl-3-oxo-4H-quinoxaline-2-carboxamide?
The IUPAC name of N-[2-[[2-[(1S,2R)-2-hydroxycyclopentyl]acetyl]-methylamino]ethyl]-N-methyl-3-oxo-4H-quinoxaline-2-carboxamide (CID 166379452) is N-[2-[[2-[(1S,2R)-2-hydroxycyclopentyl]acetyl]-methylamino]ethyl]-N-methyl-3-oxo-4H-quinoxaline-2-carboxamide.
What is the SMILES notation for N-[2-[[2-[(1S,2R)-2-hydroxycyclopentyl]acetyl]-methylamino]ethyl]-N-methyl-3-oxo-4H-quinoxaline-2-carboxamide?
The canonical SMILES for N-[2-[[2-[(1S,2R)-2-hydroxycyclopentyl]acetyl]-methylamino]ethyl]-N-methyl-3-oxo-4H-quinoxaline-2-carboxamide is CN(CCN(C)C(=O)c1nc2ccccc2[nH]c1=O)C(=O)C[C@@H]1CCC[C@H]1O.
What is the InChIKey of N-[2-[[2-[(1S,2R)-2-hydroxycyclopentyl]acetyl]-methylamino]ethyl]-N-methyl-3-oxo-4H-quinoxaline-2-carboxamide?
The InChIKey is GCYDYFTVXIUHHL-XJKSGUPXSA-N. The full InChI is InChI=1S/C20H26N4O4/c1-23(17(26)12-13-6-5-9-16(13)25)10-11-24(2)20(28)18-19(27)22-15-8-4-3-7-14(15)21-18/h3-4,7-8,13,16,25H,5-6,9-12H2,1-2H3,(H,22,27)/t13-,16+/m0/s1.
What are the key properties of N-[2-[[2-[(1S,2R)-2-hydroxycyclopentyl]acetyl]-methylamino]ethyl]-N-methyl-3-oxo-4H-quinoxaline-2-carboxamide?
N-[2-[[2-[(1S,2R)-2-hydroxycyclopentyl]acetyl]-methylamino]ethyl]-N-methyl-3-oxo-4H-quinoxaline-2-carboxamide has a molecular weight of 386.45 g/mol, XLogP of 1.00, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-[(1S,2R)-2-hydroxycyclopentyl]acetyl]-methylamino]ethyl]-N-methyl-3-oxo-4H-quinoxaline-2-carboxamide is sourced from PubChem (CID 166379452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).