3-(benzenesulfonyl)-1-(2-morpholin-4-ylethyl)pyrrolo[3,2-b]quinoxalin-2-amine

C22H23N5O3S — CID 987457

IUPAC3-(benzenesulfonyl)-1-(2-morpholin-4-ylethyl)pyrrolo[3,2-b]quinoxalin-2-amine
SMILESNc1c(S(=O)(=O)c2ccccc2)c2nc3ccccc3nc2n1CCN1CCOCC1
InChIInChI=1S/C22H23N5O3S/c23-21-20(31(28,29)16-6-2-1-3-7-16)19-22(25-18-9-5-4-8-17(18)24-19)27(21)11-10-26-12-14-30-15-13-26/h1-9H,10-15,23H2
InChIKeyCSTBLGVVGAINPS-UHFFFAOYSA-N
MW437.53 g/mol
LogP2.33
Rot. Bonds5

About 3-(benzenesulfonyl)-1-(2-morpholin-4-ylethyl)pyrrolo[3,2-b]quinoxalin-2-amine

3-(benzenesulfonyl)-1-(2-morpholin-4-ylethyl)pyrrolo[3,2-b]quinoxalin-2-amine (PubChem CID 987457) has the molecular formula C22H23N5O3S and a molecular weight of 437.53 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-1-(2-morpholin-4-ylethyl)pyrrolo[3,2-b]quinoxalin-2-amine.

Molecular Properties

Compound Name3-(benzenesulfonyl)-1-(2-morpholin-4-ylethyl)pyrrolo[3,2-b]quinoxalin-2-amine
PubChem CID987457
Molecular FormulaC22H23N5O3S
Molecular Weight437.53 g/mol
Exact Mass437.15
IUPAC Name3-(benzenesulfonyl)-1-(2-morpholin-4-ylethyl)pyrrolo[3,2-b]quinoxalin-2-amine
SMILESNc1c(S(=O)(=O)c2ccccc2)c2nc3ccccc3nc2n1CCN1CCOCC1
InChIInChI=1S/C22H23N5O3S/c23-21-20(31(28,29)16-6-2-1-3-7-16)19-22(25-18-9-5-4-8-17(18)24-19)27(21)11-10-26-12-14-30-15-13-26/h1-9H,10-15,23H2
InChIKeyCSTBLGVVGAINPS-UHFFFAOYSA-N
XLogP2.33
TPSA103.34 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.53
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-1-(2-morpholin-4-ylethyl)pyrrolo[3,2-b]quinoxalin-2-amine?
The IUPAC name of 3-(benzenesulfonyl)-1-(2-morpholin-4-ylethyl)pyrrolo[3,2-b]quinoxalin-2-amine (CID 987457) is 3-(benzenesulfonyl)-1-(2-morpholin-4-ylethyl)pyrrolo[3,2-b]quinoxalin-2-amine.
What is the SMILES notation for 3-(benzenesulfonyl)-1-(2-morpholin-4-ylethyl)pyrrolo[3,2-b]quinoxalin-2-amine?
The canonical SMILES for 3-(benzenesulfonyl)-1-(2-morpholin-4-ylethyl)pyrrolo[3,2-b]quinoxalin-2-amine is Nc1c(S(=O)(=O)c2ccccc2)c2nc3ccccc3nc2n1CCN1CCOCC1.
What is the InChIKey of 3-(benzenesulfonyl)-1-(2-morpholin-4-ylethyl)pyrrolo[3,2-b]quinoxalin-2-amine?
The InChIKey is CSTBLGVVGAINPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O3S/c23-21-20(31(28,29)16-6-2-1-3-7-16)19-22(25-18-9-5-4-8-17(18)24-19)27(21)11-10-26-12-14-30-15-13-26/h1-9H,10-15,23H2.
What are the key properties of 3-(benzenesulfonyl)-1-(2-morpholin-4-ylethyl)pyrrolo[3,2-b]quinoxalin-2-amine?
3-(benzenesulfonyl)-1-(2-morpholin-4-ylethyl)pyrrolo[3,2-b]quinoxalin-2-amine has a molecular weight of 437.53 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-1-(2-morpholin-4-ylethyl)pyrrolo[3,2-b]quinoxalin-2-amine is sourced from PubChem (CID 987457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).