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

C22H19ClFN3O2 — CID 66501497

IUPAC3-(6-chloro-1-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-1-(2-fluorophenyl)pyrrolidine-2,5-dione
SMILESCC1c2[nH]c3ccc(Cl)cc3c2CCN1C1CC(=O)N(c2ccccc2F)C1=O
InChIInChI=1S/C22H19ClFN3O2/c1-12-21-14(15-10-13(23)6-7-17(15)25-21)8-9-26(12)19-11-20(28)27(22(19)29)18-5-3-2-4-16(18)24/h2-7,10,12,19,25H,8-9,11H2,1H3
InChIKeyOMILIVQBCPLSKT-UHFFFAOYSA-N
MW411.86 g/mol
LogP4.21
Rot. Bonds2

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

3-(6-chloro-1-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-1-(2-fluorophenyl)pyrrolidine-2,5-dione (PubChem CID 66501497) has the molecular formula C22H19ClFN3O2 and a molecular weight of 411.86 g/mol. Its IUPAC name is 3-(6-chloro-1-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-1-(2-fluorophenyl)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-fluorophenyl)pyrrolidine-2,5-dione
PubChem CID66501497
Molecular FormulaC22H19ClFN3O2
Molecular Weight411.86 g/mol
Exact Mass411.11
IUPAC Name3-(6-chloro-1-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-1-(2-fluorophenyl)pyrrolidine-2,5-dione
SMILESCC1c2[nH]c3ccc(Cl)cc3c2CCN1C1CC(=O)N(c2ccccc2F)C1=O
InChIInChI=1S/C22H19ClFN3O2/c1-12-21-14(15-10-13(23)6-7-17(15)25-21)8-9-26(12)19-11-20(28)27(22(19)29)18-5-3-2-4-16(18)24/h2-7,10,12,19,25H,8-9,11H2,1H3
InChIKeyOMILIVQBCPLSKT-UHFFFAOYSA-N
XLogP4.21
TPSA56.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.86
LogP ≤ 54.21
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'}

Analyze 3-(6-chloro-1-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-1-(2-fluorophenyl)pyrrolidine-2,5-dione 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 3-(6-chloro-1-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-1-(2-fluorophenyl)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-fluorophenyl)pyrrolidine-2,5-dione (CID 66501497) is 3-(6-chloro-1-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-1-(2-fluorophenyl)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-fluorophenyl)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-fluorophenyl)pyrrolidine-2,5-dione is CC1c2[nH]c3ccc(Cl)cc3c2CCN1C1CC(=O)N(c2ccccc2F)C1=O.
What is the InChIKey of 3-(6-chloro-1-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-1-(2-fluorophenyl)pyrrolidine-2,5-dione?
The InChIKey is OMILIVQBCPLSKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClFN3O2/c1-12-21-14(15-10-13(23)6-7-17(15)25-21)8-9-26(12)19-11-20(28)27(22(19)29)18-5-3-2-4-16(18)24/h2-7,10,12,19,25H,8-9,11H2,1H3.
What are the key properties of 3-(6-chloro-1-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-1-(2-fluorophenyl)pyrrolidine-2,5-dione?
3-(6-chloro-1-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-1-(2-fluorophenyl)pyrrolidine-2,5-dione has a molecular weight of 411.86 g/mol, XLogP of 4.21, 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-fluorophenyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 66501497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).