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

C24H27N5O3S — CID 2997549

IUPAC3-(3,4-dimethylphenyl)sulfonyl-1-(2-morpholin-4-ylethyl)pyrrolo[3,2-b]quinoxalin-2-amine
SMILESCc1ccc(S(=O)(=O)c2c(N)n(CCN3CCOCC3)c3nc4ccccc4nc23)cc1C
InChIInChI=1S/C24H27N5O3S/c1-16-7-8-18(15-17(16)2)33(30,31)22-21-24(27-20-6-4-3-5-19(20)26-21)29(23(22)25)10-9-28-11-13-32-14-12-28/h3-8,15H,9-14,25H2,1-2H3
InChIKeyXPTHLOMJOBLAAH-UHFFFAOYSA-N
MW465.58 g/mol
LogP2.95
Rot. Bonds5

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

3-(3,4-dimethylphenyl)sulfonyl-1-(2-morpholin-4-ylethyl)pyrrolo[3,2-b]quinoxalin-2-amine (PubChem CID 2997549) has the molecular formula C24H27N5O3S and a molecular weight of 465.58 g/mol. Its IUPAC name is 3-(3,4-dimethylphenyl)sulfonyl-1-(2-morpholin-4-ylethyl)pyrrolo[3,2-b]quinoxalin-2-amine.

Molecular Properties

Compound Name3-(3,4-dimethylphenyl)sulfonyl-1-(2-morpholin-4-ylethyl)pyrrolo[3,2-b]quinoxalin-2-amine
PubChem CID2997549
Molecular FormulaC24H27N5O3S
Molecular Weight465.58 g/mol
Exact Mass465.18
IUPAC Name3-(3,4-dimethylphenyl)sulfonyl-1-(2-morpholin-4-ylethyl)pyrrolo[3,2-b]quinoxalin-2-amine
SMILESCc1ccc(S(=O)(=O)c2c(N)n(CCN3CCOCC3)c3nc4ccccc4nc23)cc1C
InChIInChI=1S/C24H27N5O3S/c1-16-7-8-18(15-17(16)2)33(30,31)22-21-24(27-20-6-4-3-5-19(20)26-21)29(23(22)25)10-9-28-11-13-32-14-12-28/h3-8,15H,9-14,25H2,1-2H3
InChIKeyXPTHLOMJOBLAAH-UHFFFAOYSA-N
XLogP2.95
TPSA103.34 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.58
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethylphenyl)sulfonyl-1-(2-morpholin-4-ylethyl)pyrrolo[3,2-b]quinoxalin-2-amine?
The IUPAC name of 3-(3,4-dimethylphenyl)sulfonyl-1-(2-morpholin-4-ylethyl)pyrrolo[3,2-b]quinoxalin-2-amine (CID 2997549) is 3-(3,4-dimethylphenyl)sulfonyl-1-(2-morpholin-4-ylethyl)pyrrolo[3,2-b]quinoxalin-2-amine.
What is the SMILES notation for 3-(3,4-dimethylphenyl)sulfonyl-1-(2-morpholin-4-ylethyl)pyrrolo[3,2-b]quinoxalin-2-amine?
The canonical SMILES for 3-(3,4-dimethylphenyl)sulfonyl-1-(2-morpholin-4-ylethyl)pyrrolo[3,2-b]quinoxalin-2-amine is Cc1ccc(S(=O)(=O)c2c(N)n(CCN3CCOCC3)c3nc4ccccc4nc23)cc1C.
What is the InChIKey of 3-(3,4-dimethylphenyl)sulfonyl-1-(2-morpholin-4-ylethyl)pyrrolo[3,2-b]quinoxalin-2-amine?
The InChIKey is XPTHLOMJOBLAAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O3S/c1-16-7-8-18(15-17(16)2)33(30,31)22-21-24(27-20-6-4-3-5-19(20)26-21)29(23(22)25)10-9-28-11-13-32-14-12-28/h3-8,15H,9-14,25H2,1-2H3.
What are the key properties of 3-(3,4-dimethylphenyl)sulfonyl-1-(2-morpholin-4-ylethyl)pyrrolo[3,2-b]quinoxalin-2-amine?
3-(3,4-dimethylphenyl)sulfonyl-1-(2-morpholin-4-ylethyl)pyrrolo[3,2-b]quinoxalin-2-amine has a molecular weight of 465.58 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethylphenyl)sulfonyl-1-(2-morpholin-4-ylethyl)pyrrolo[3,2-b]quinoxalin-2-amine is sourced from PubChem (CID 2997549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).