4-[4-(7-methyl-1,6,8,9-tetrahydropyrrolo[2,3-f]isoquinolin-5-yl)phenyl]sulfonylmorpholine

C22H25N3O3S — CID 67763321

IUPAC4-[4-(7-methyl-1,6,8,9-tetrahydropyrrolo[2,3-f]isoquinolin-5-yl)phenyl]sulfonylmorpholine
SMILESCN1CCc2c(c(-c3ccc(S(=O)(=O)N4CCOCC4)cc3)cc3cc[nH]c23)C1
InChIInChI=1S/C22H25N3O3S/c1-24-9-7-19-21(15-24)20(14-17-6-8-23-22(17)19)16-2-4-18(5-3-16)29(26,27)25-10-12-28-13-11-25/h2-6,8,14,23H,7,9-13,15H2,1H3
InChIKeyGSAYMOWJWBWLRR-UHFFFAOYSA-N
MW411.53 g/mol
LogP2.84
Rot. Bonds3

About 4-[4-(7-methyl-1,6,8,9-tetrahydropyrrolo[2,3-f]isoquinolin-5-yl)phenyl]sulfonylmorpholine

4-[4-(7-methyl-1,6,8,9-tetrahydropyrrolo[2,3-f]isoquinolin-5-yl)phenyl]sulfonylmorpholine (PubChem CID 67763321) has the molecular formula C22H25N3O3S and a molecular weight of 411.53 g/mol. Its IUPAC name is 4-[4-(7-methyl-1,6,8,9-tetrahydropyrrolo[2,3-f]isoquinolin-5-yl)phenyl]sulfonylmorpholine.

Molecular Properties

Compound Name4-[4-(7-methyl-1,6,8,9-tetrahydropyrrolo[2,3-f]isoquinolin-5-yl)phenyl]sulfonylmorpholine
PubChem CID67763321
Molecular FormulaC22H25N3O3S
Molecular Weight411.53 g/mol
Exact Mass411.16
IUPAC Name4-[4-(7-methyl-1,6,8,9-tetrahydropyrrolo[2,3-f]isoquinolin-5-yl)phenyl]sulfonylmorpholine
SMILESCN1CCc2c(c(-c3ccc(S(=O)(=O)N4CCOCC4)cc3)cc3cc[nH]c23)C1
InChIInChI=1S/C22H25N3O3S/c1-24-9-7-19-21(15-24)20(14-17-6-8-23-22(17)19)16-2-4-18(5-3-16)29(26,27)25-10-12-28-13-11-25/h2-6,8,14,23H,7,9-13,15H2,1H3
InChIKeyGSAYMOWJWBWLRR-UHFFFAOYSA-N
XLogP2.84
TPSA65.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.53
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[4-(7-methyl-1,6,8,9-tetrahydropyrrolo[2,3-f]isoquinolin-5-yl)phenyl]sulfonylmorpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[4-(7-methyl-1,6,8,9-tetrahydropyrrolo[2,3-f]isoquinolin-5-yl)phenyl]sulfonylmorpholine?
The IUPAC name of 4-[4-(7-methyl-1,6,8,9-tetrahydropyrrolo[2,3-f]isoquinolin-5-yl)phenyl]sulfonylmorpholine (CID 67763321) is 4-[4-(7-methyl-1,6,8,9-tetrahydropyrrolo[2,3-f]isoquinolin-5-yl)phenyl]sulfonylmorpholine.
What is the SMILES notation for 4-[4-(7-methyl-1,6,8,9-tetrahydropyrrolo[2,3-f]isoquinolin-5-yl)phenyl]sulfonylmorpholine?
The canonical SMILES for 4-[4-(7-methyl-1,6,8,9-tetrahydropyrrolo[2,3-f]isoquinolin-5-yl)phenyl]sulfonylmorpholine is CN1CCc2c(c(-c3ccc(S(=O)(=O)N4CCOCC4)cc3)cc3cc[nH]c23)C1.
What is the InChIKey of 4-[4-(7-methyl-1,6,8,9-tetrahydropyrrolo[2,3-f]isoquinolin-5-yl)phenyl]sulfonylmorpholine?
The InChIKey is GSAYMOWJWBWLRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3S/c1-24-9-7-19-21(15-24)20(14-17-6-8-23-22(17)19)16-2-4-18(5-3-16)29(26,27)25-10-12-28-13-11-25/h2-6,8,14,23H,7,9-13,15H2,1H3.
What are the key properties of 4-[4-(7-methyl-1,6,8,9-tetrahydropyrrolo[2,3-f]isoquinolin-5-yl)phenyl]sulfonylmorpholine?
4-[4-(7-methyl-1,6,8,9-tetrahydropyrrolo[2,3-f]isoquinolin-5-yl)phenyl]sulfonylmorpholine has a molecular weight of 411.53 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(7-methyl-1,6,8,9-tetrahydropyrrolo[2,3-f]isoquinolin-5-yl)phenyl]sulfonylmorpholine is sourced from PubChem (CID 67763321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).