3-(6-chloro-1-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-1-(2,4-dimethylphenyl)pyrrolidine-2,5-dione

C24H24ClN3O2 — CID 66501645

IUPAC3-(6-chloro-1-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-1-(2,4-dimethylphenyl)pyrrolidine-2,5-dione
SMILESCc1ccc(N2C(=O)CC(N3CCc4c([nH]c5ccc(Cl)cc45)C3C)C2=O)c(C)c1
InChIInChI=1S/C24H24ClN3O2/c1-13-4-7-20(14(2)10-13)28-22(29)12-21(24(28)30)27-9-8-17-18-11-16(25)5-6-19(18)26-23(17)15(27)3/h4-7,10-11,15,21,26H,8-9,12H2,1-3H3
InChIKeyCSMCPONVXIVRRT-UHFFFAOYSA-N
MW421.93 g/mol
LogP4.69
Rot. Bonds2

About 3-(6-chloro-1-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-1-(2,4-dimethylphenyl)pyrrolidine-2,5-dione

3-(6-chloro-1-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-1-(2,4-dimethylphenyl)pyrrolidine-2,5-dione (PubChem CID 66501645) has the molecular formula C24H24ClN3O2 and a molecular weight of 421.93 g/mol. Its IUPAC name is 3-(6-chloro-1-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-1-(2,4-dimethylphenyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(6-chloro-1-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-1-(2,4-dimethylphenyl)pyrrolidine-2,5-dione
PubChem CID66501645
Molecular FormulaC24H24ClN3O2
Molecular Weight421.93 g/mol
Exact Mass421.16
IUPAC Name3-(6-chloro-1-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-1-(2,4-dimethylphenyl)pyrrolidine-2,5-dione
SMILESCc1ccc(N2C(=O)CC(N3CCc4c([nH]c5ccc(Cl)cc45)C3C)C2=O)c(C)c1
InChIInChI=1S/C24H24ClN3O2/c1-13-4-7-20(14(2)10-13)28-22(29)12-21(24(28)30)27-9-8-17-18-11-16(25)5-6-19(18)26-23(17)15(27)3/h4-7,10-11,15,21,26H,8-9,12H2,1-3H3
InChIKeyCSMCPONVXIVRRT-UHFFFAOYSA-N
XLogP4.69
TPSA56.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.93
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(6-chloro-1-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-1-(2,4-dimethylphenyl)pyrrolidine-2,5-dione?
The IUPAC name of 3-(6-chloro-1-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-1-(2,4-dimethylphenyl)pyrrolidine-2,5-dione (CID 66501645) is 3-(6-chloro-1-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-1-(2,4-dimethylphenyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-(6-chloro-1-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-1-(2,4-dimethylphenyl)pyrrolidine-2,5-dione?
The canonical SMILES for 3-(6-chloro-1-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-1-(2,4-dimethylphenyl)pyrrolidine-2,5-dione is Cc1ccc(N2C(=O)CC(N3CCc4c([nH]c5ccc(Cl)cc45)C3C)C2=O)c(C)c1.
What is the InChIKey of 3-(6-chloro-1-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-1-(2,4-dimethylphenyl)pyrrolidine-2,5-dione?
The InChIKey is CSMCPONVXIVRRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClN3O2/c1-13-4-7-20(14(2)10-13)28-22(29)12-21(24(28)30)27-9-8-17-18-11-16(25)5-6-19(18)26-23(17)15(27)3/h4-7,10-11,15,21,26H,8-9,12H2,1-3H3.
What are the key properties of 3-(6-chloro-1-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-1-(2,4-dimethylphenyl)pyrrolidine-2,5-dione?
3-(6-chloro-1-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-1-(2,4-dimethylphenyl)pyrrolidine-2,5-dione has a molecular weight of 421.93 g/mol, XLogP of 4.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-chloro-1-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-1-(2,4-dimethylphenyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 66501645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).