4-oxo-N-(2-thiomorpholin-4-ylethyl)-5H-pyrrolo[1,2-a]quinoxaline-7-carboxamide

C18H20N4O2S — CID 68502159

IUPAC4-oxo-N-(2-thiomorpholin-4-ylethyl)-5H-pyrrolo[1,2-a]quinoxaline-7-carboxamide
SMILESO=C(NCCN1CCSCC1)c1ccc2c(c1)[nH]c(=O)c1cccn12
InChIInChI=1S/C18H20N4O2S/c23-17(19-5-7-21-8-10-25-11-9-21)13-3-4-15-14(12-13)20-18(24)16-2-1-6-22(15)16/h1-4,6,12H,5,7-11H2,(H,19,23)(H,20,24)
InChIKeyUHJPBPZEXDDVST-UHFFFAOYSA-N
MW356.45 g/mol
LogP1.56
Rot. Bonds4

About 4-oxo-N-(2-thiomorpholin-4-ylethyl)-5H-pyrrolo[1,2-a]quinoxaline-7-carboxamide

4-oxo-N-(2-thiomorpholin-4-ylethyl)-5H-pyrrolo[1,2-a]quinoxaline-7-carboxamide (PubChem CID 68502159) has the molecular formula C18H20N4O2S and a molecular weight of 356.45 g/mol. Its IUPAC name is 4-oxo-N-(2-thiomorpholin-4-ylethyl)-5H-pyrrolo[1,2-a]quinoxaline-7-carboxamide.

Molecular Properties

Compound Name4-oxo-N-(2-thiomorpholin-4-ylethyl)-5H-pyrrolo[1,2-a]quinoxaline-7-carboxamide
PubChem CID68502159
Molecular FormulaC18H20N4O2S
Molecular Weight356.45 g/mol
Exact Mass356.13
IUPAC Name4-oxo-N-(2-thiomorpholin-4-ylethyl)-5H-pyrrolo[1,2-a]quinoxaline-7-carboxamide
SMILESO=C(NCCN1CCSCC1)c1ccc2c(c1)[nH]c(=O)c1cccn12
InChIInChI=1S/C18H20N4O2S/c23-17(19-5-7-21-8-10-25-11-9-21)13-3-4-15-14(12-13)20-18(24)16-2-1-6-22(15)16/h1-4,6,12H,5,7-11H2,(H,19,23)(H,20,24)
InChIKeyUHJPBPZEXDDVST-UHFFFAOYSA-N
XLogP1.56
TPSA69.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-morpholin-4-ylethyl)-4-oxo-5H-pyrrolo[1,2-a]quinoxaline-8-carboxamide
CID 24831358
4-oxo-5H-pyrrolo[1,2-a]quinoxaline-7-carboxamide
CID 59587752
1-ethyl-2,3-dioxo-N-(2-piperazin-1-ylethyl)-4H-quinoxaline-6-carboxamide;hydrochloride
CID 119447949
N-(2-morpholin-4-ylethyl)-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide
CID 23474561
4-carbamothioyl-N-(2-thiomorpholin-4-ylethyl)benzamide
CID 106325595
4-oxo-N-(1,3-thiazol-2-yl)-5H-pyrrolo[1,2-a]quinoxaline-7-carboxamide
CID 87477582
N-(2-morpholin-4-ylethyl)-6-oxo-5H-phenanthridine-3-carboxamide
CID 10132635
2,3-dihydroxy-N-(2-thiomorpholin-4-ylethyl)benzamide
CID 107325487
1-(4-hydroxycyclohexyl)-2-oxo-N-(2-pyrrolidin-1-ylethyl)-3H-benzimidazole-5-carboxamide
CID 70780487
1-cyclopentyl-2-oxo-N-(2-piperazin-1-ylethyl)-3H-benzimidazole-5-carboxamide;hydrochloride
CID 119448652
2-(2-thiomorpholin-4-ylethylcarbamoyl)benzoic acid
CID 106305212
N-(2-thiomorpholin-4-ylethyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 106325156

Frequently Asked Questions

What is the IUPAC name of 4-oxo-N-(2-thiomorpholin-4-ylethyl)-5H-pyrrolo[1,2-a]quinoxaline-7-carboxamide?
The IUPAC name of 4-oxo-N-(2-thiomorpholin-4-ylethyl)-5H-pyrrolo[1,2-a]quinoxaline-7-carboxamide (CID 68502159) is 4-oxo-N-(2-thiomorpholin-4-ylethyl)-5H-pyrrolo[1,2-a]quinoxaline-7-carboxamide.
What is the SMILES notation for 4-oxo-N-(2-thiomorpholin-4-ylethyl)-5H-pyrrolo[1,2-a]quinoxaline-7-carboxamide?
The canonical SMILES for 4-oxo-N-(2-thiomorpholin-4-ylethyl)-5H-pyrrolo[1,2-a]quinoxaline-7-carboxamide is O=C(NCCN1CCSCC1)c1ccc2c(c1)[nH]c(=O)c1cccn12.
What is the InChIKey of 4-oxo-N-(2-thiomorpholin-4-ylethyl)-5H-pyrrolo[1,2-a]quinoxaline-7-carboxamide?
The InChIKey is UHJPBPZEXDDVST-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2S/c23-17(19-5-7-21-8-10-25-11-9-21)13-3-4-15-14(12-13)20-18(24)16-2-1-6-22(15)16/h1-4,6,12H,5,7-11H2,(H,19,23)(H,20,24).
What are the key properties of 4-oxo-N-(2-thiomorpholin-4-ylethyl)-5H-pyrrolo[1,2-a]quinoxaline-7-carboxamide?
4-oxo-N-(2-thiomorpholin-4-ylethyl)-5H-pyrrolo[1,2-a]quinoxaline-7-carboxamide has a molecular weight of 356.45 g/mol, XLogP of 1.56, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-N-(2-thiomorpholin-4-ylethyl)-5H-pyrrolo[1,2-a]quinoxaline-7-carboxamide is sourced from PubChem (CID 68502159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).