7-methylsulfonyl-N-(3-morpholin-4-ylpropyl)imidazo[1,2-a]quinoxalin-4-amine

C18H23N5O3S — CID 4228163

IUPAC7-methylsulfonyl-N-(3-morpholin-4-ylpropyl)imidazo[1,2-a]quinoxalin-4-amine
SMILESCS(=O)(=O)c1ccc2c(c1)nc(NCCCN1CCOCC1)c1nccn12
InChIInChI=1S/C18H23N5O3S/c1-27(24,25)14-3-4-16-15(13-14)21-17(18-20-6-8-23(16)18)19-5-2-7-22-9-11-26-12-10-22/h3-4,6,8,13H,2,5,7,9-12H2,1H3,(H,19,21)
InChIKeyAPSNEQCKYUGXCV-UHFFFAOYSA-N
MW389.48 g/mol
LogP1.42
Rot. Bonds6

About 7-methylsulfonyl-N-(3-morpholin-4-ylpropyl)imidazo[1,2-a]quinoxalin-4-amine

7-methylsulfonyl-N-(3-morpholin-4-ylpropyl)imidazo[1,2-a]quinoxalin-4-amine (PubChem CID 4228163) has the molecular formula C18H23N5O3S and a molecular weight of 389.48 g/mol. Its IUPAC name is 7-methylsulfonyl-N-(3-morpholin-4-ylpropyl)imidazo[1,2-a]quinoxalin-4-amine.

Molecular Properties

Compound Name7-methylsulfonyl-N-(3-morpholin-4-ylpropyl)imidazo[1,2-a]quinoxalin-4-amine
PubChem CID4228163
Molecular FormulaC18H23N5O3S
Molecular Weight389.48 g/mol
Exact Mass389.15
IUPAC Name7-methylsulfonyl-N-(3-morpholin-4-ylpropyl)imidazo[1,2-a]quinoxalin-4-amine
SMILESCS(=O)(=O)c1ccc2c(c1)nc(NCCCN1CCOCC1)c1nccn12
InChIInChI=1S/C18H23N5O3S/c1-27(24,25)14-3-4-16-15(13-14)21-17(18-20-6-8-23(16)18)19-5-2-7-22-9-11-26-12-10-22/h3-4,6,8,13H,2,5,7,9-12H2,1H3,(H,19,21)
InChIKeyAPSNEQCKYUGXCV-UHFFFAOYSA-N
XLogP1.42
TPSA88.83 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-methylsulfonyl-N-(3-morpholin-4-ylpropyl)imidazo[1,2-a]quinoxalin-4-amine?
The IUPAC name of 7-methylsulfonyl-N-(3-morpholin-4-ylpropyl)imidazo[1,2-a]quinoxalin-4-amine (CID 4228163) is 7-methylsulfonyl-N-(3-morpholin-4-ylpropyl)imidazo[1,2-a]quinoxalin-4-amine.
What is the SMILES notation for 7-methylsulfonyl-N-(3-morpholin-4-ylpropyl)imidazo[1,2-a]quinoxalin-4-amine?
The canonical SMILES for 7-methylsulfonyl-N-(3-morpholin-4-ylpropyl)imidazo[1,2-a]quinoxalin-4-amine is CS(=O)(=O)c1ccc2c(c1)nc(NCCCN1CCOCC1)c1nccn12.
What is the InChIKey of 7-methylsulfonyl-N-(3-morpholin-4-ylpropyl)imidazo[1,2-a]quinoxalin-4-amine?
The InChIKey is APSNEQCKYUGXCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O3S/c1-27(24,25)14-3-4-16-15(13-14)21-17(18-20-6-8-23(16)18)19-5-2-7-22-9-11-26-12-10-22/h3-4,6,8,13H,2,5,7,9-12H2,1H3,(H,19,21).
What are the key properties of 7-methylsulfonyl-N-(3-morpholin-4-ylpropyl)imidazo[1,2-a]quinoxalin-4-amine?
7-methylsulfonyl-N-(3-morpholin-4-ylpropyl)imidazo[1,2-a]quinoxalin-4-amine has a molecular weight of 389.48 g/mol, XLogP of 1.42, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methylsulfonyl-N-(3-morpholin-4-ylpropyl)imidazo[1,2-a]quinoxalin-4-amine is sourced from PubChem (CID 4228163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).