2-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-4,9-dihydropyrido[3,4-b]indole-1,3-dione

C23H23ClN4O2 — CID 3075503

IUPAC2-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-4,9-dihydropyrido[3,4-b]indole-1,3-dione
SMILESO=C1Cc2c([nH]c3ccccc23)C(=O)N1CCN1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C23H23ClN4O2/c24-16-4-3-5-17(14-16)27-11-8-26(9-12-27)10-13-28-21(29)15-19-18-6-1-2-7-20(18)25-22(19)23(28)30/h1-7,14,25H,8-13,15H2
InChIKeySQCCPNHBIYQSLU-UHFFFAOYSA-N
MW422.92 g/mol
LogP3.17
Rot. Bonds4

About 2-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-4,9-dihydropyrido[3,4-b]indole-1,3-dione

2-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-4,9-dihydropyrido[3,4-b]indole-1,3-dione (PubChem CID 3075503) has the molecular formula C23H23ClN4O2 and a molecular weight of 422.92 g/mol. Its IUPAC name is 2-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-4,9-dihydropyrido[3,4-b]indole-1,3-dione.

Molecular Properties

Compound Name2-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-4,9-dihydropyrido[3,4-b]indole-1,3-dione
PubChem CID3075503
Molecular FormulaC23H23ClN4O2
Molecular Weight422.92 g/mol
Exact Mass422.15
IUPAC Name2-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-4,9-dihydropyrido[3,4-b]indole-1,3-dione
SMILESO=C1Cc2c([nH]c3ccccc23)C(=O)N1CCN1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C23H23ClN4O2/c24-16-4-3-5-17(14-16)27-11-8-26(9-12-27)10-13-28-21(29)15-19-18-6-1-2-7-20(18)25-22(19)23(28)30/h1-7,14,25H,8-13,15H2
InChIKeySQCCPNHBIYQSLU-UHFFFAOYSA-N
XLogP3.17
TPSA59.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.92
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-4,9-dihydropyrido[3,4-b]indole-1,3-dione with MolForge

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

Launch Full Analysis

Related Compounds

3-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-1H-quinazoline-2,4-dione;hydrochloride
CID 10674
1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3-fluoren-9-ylidenepyrrolidine-2,5-dione
CID 10815166
3-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-1,3-thiazolidine-2,4-dione;hydrochloride
CID 86738729
1-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-3-cyclohexylpyrrolidine-2,5-dione
CID 25269976
1-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-3-(2-methylphenyl)pyrrolidine-2,5-dione
CID 42631196
2-[5-[4-(3-chlorophenyl)piperazin-1-yl]pentyl]benzo[de]isoquinoline-1,3-dione
CID 12965902
4-[4-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]phenyl]-4-oxobutanoic acid
CID 14423689
1-(3-chlorophenyl)-4-[2-(4-phenyltriazol-1-yl)ethyl]piperazine;hydrochloride
CID 142709680
2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl-methanidylazanium
CID 20756629
3-[4-(3-chlorophenyl)piperazin-1-yl]propanenitrile
CID 12726738
5-[4-(3-chlorophenyl)piperazin-1-yl]-N-methylpentan-1-amine
CID 62424615
2-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-4-methylphthalazin-1-one
CID 110183574

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-4,9-dihydropyrido[3,4-b]indole-1,3-dione?
The IUPAC name of 2-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-4,9-dihydropyrido[3,4-b]indole-1,3-dione (CID 3075503) is 2-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-4,9-dihydropyrido[3,4-b]indole-1,3-dione.
What is the SMILES notation for 2-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-4,9-dihydropyrido[3,4-b]indole-1,3-dione?
The canonical SMILES for 2-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-4,9-dihydropyrido[3,4-b]indole-1,3-dione is O=C1Cc2c([nH]c3ccccc23)C(=O)N1CCN1CCN(c2cccc(Cl)c2)CC1.
What is the InChIKey of 2-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-4,9-dihydropyrido[3,4-b]indole-1,3-dione?
The InChIKey is SQCCPNHBIYQSLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN4O2/c24-16-4-3-5-17(14-16)27-11-8-26(9-12-27)10-13-28-21(29)15-19-18-6-1-2-7-20(18)25-22(19)23(28)30/h1-7,14,25H,8-13,15H2.
What are the key properties of 2-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-4,9-dihydropyrido[3,4-b]indole-1,3-dione?
2-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-4,9-dihydropyrido[3,4-b]indole-1,3-dione has a molecular weight of 422.92 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-4,9-dihydropyrido[3,4-b]indole-1,3-dione is sourced from PubChem (CID 3075503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).