N-[4-[2-amino-1-(2-morpholin-4-ylethyl)pyrrolo[3,2-b]quinoxalin-3-yl]sulfonylphenyl]acetamide

C24H26N6O4S — CID 2116892

IUPACN-[4-[2-amino-1-(2-morpholin-4-ylethyl)pyrrolo[3,2-b]quinoxalin-3-yl]sulfonylphenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)c2c(N)n(CCN3CCOCC3)c3nc4ccccc4nc23)cc1
InChIInChI=1S/C24H26N6O4S/c1-16(31)26-17-6-8-18(9-7-17)35(32,33)22-21-24(28-20-5-3-2-4-19(20)27-21)30(23(22)25)11-10-29-12-14-34-15-13-29/h2-9H,10-15,25H2,1H3,(H,26,31)
InChIKeyWUEJTRNTDAFMKV-UHFFFAOYSA-N
MW494.58 g/mol
LogP2.29
Rot. Bonds6

About N-[4-[2-amino-1-(2-morpholin-4-ylethyl)pyrrolo[3,2-b]quinoxalin-3-yl]sulfonylphenyl]acetamide

N-[4-[2-amino-1-(2-morpholin-4-ylethyl)pyrrolo[3,2-b]quinoxalin-3-yl]sulfonylphenyl]acetamide (PubChem CID 2116892) has the molecular formula C24H26N6O4S and a molecular weight of 494.58 g/mol. Its IUPAC name is N-[4-[2-amino-1-(2-morpholin-4-ylethyl)pyrrolo[3,2-b]quinoxalin-3-yl]sulfonylphenyl]acetamide.

Molecular Properties

Compound NameN-[4-[2-amino-1-(2-morpholin-4-ylethyl)pyrrolo[3,2-b]quinoxalin-3-yl]sulfonylphenyl]acetamide
PubChem CID2116892
Molecular FormulaC24H26N6O4S
Molecular Weight494.58 g/mol
Exact Mass494.17
IUPAC NameN-[4-[2-amino-1-(2-morpholin-4-ylethyl)pyrrolo[3,2-b]quinoxalin-3-yl]sulfonylphenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)c2c(N)n(CCN3CCOCC3)c3nc4ccccc4nc23)cc1
InChIInChI=1S/C24H26N6O4S/c1-16(31)26-17-6-8-18(9-7-17)35(32,33)22-21-24(28-20-5-3-2-4-19(20)27-21)30(23(22)25)11-10-29-12-14-34-15-13-29/h2-9H,10-15,25H2,1H3,(H,26,31)
InChIKeyWUEJTRNTDAFMKV-UHFFFAOYSA-N
XLogP2.29
TPSA132.44 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.58
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-amino-1-(2-morpholin-4-ylethyl)pyrrolo[3,2-b]quinoxalin-3-yl]sulfonylphenyl]acetamide?
The IUPAC name of N-[4-[2-amino-1-(2-morpholin-4-ylethyl)pyrrolo[3,2-b]quinoxalin-3-yl]sulfonylphenyl]acetamide (CID 2116892) is N-[4-[2-amino-1-(2-morpholin-4-ylethyl)pyrrolo[3,2-b]quinoxalin-3-yl]sulfonylphenyl]acetamide.
What is the SMILES notation for N-[4-[2-amino-1-(2-morpholin-4-ylethyl)pyrrolo[3,2-b]quinoxalin-3-yl]sulfonylphenyl]acetamide?
The canonical SMILES for N-[4-[2-amino-1-(2-morpholin-4-ylethyl)pyrrolo[3,2-b]quinoxalin-3-yl]sulfonylphenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)c2c(N)n(CCN3CCOCC3)c3nc4ccccc4nc23)cc1.
What is the InChIKey of N-[4-[2-amino-1-(2-morpholin-4-ylethyl)pyrrolo[3,2-b]quinoxalin-3-yl]sulfonylphenyl]acetamide?
The InChIKey is WUEJTRNTDAFMKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O4S/c1-16(31)26-17-6-8-18(9-7-17)35(32,33)22-21-24(28-20-5-3-2-4-19(20)27-21)30(23(22)25)11-10-29-12-14-34-15-13-29/h2-9H,10-15,25H2,1H3,(H,26,31).
What are the key properties of N-[4-[2-amino-1-(2-morpholin-4-ylethyl)pyrrolo[3,2-b]quinoxalin-3-yl]sulfonylphenyl]acetamide?
N-[4-[2-amino-1-(2-morpholin-4-ylethyl)pyrrolo[3,2-b]quinoxalin-3-yl]sulfonylphenyl]acetamide has a molecular weight of 494.58 g/mol, XLogP of 2.29, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-amino-1-(2-morpholin-4-ylethyl)pyrrolo[3,2-b]quinoxalin-3-yl]sulfonylphenyl]acetamide is sourced from PubChem (CID 2116892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).