2-[3-(2-methyl-4-quinolin-2-ylpiperazin-1-yl)propyl]isoindole-1,3-dione

C25H26N4O2 — CID 25093402

IUPAC2-[3-(2-methyl-4-quinolin-2-ylpiperazin-1-yl)propyl]isoindole-1,3-dione
SMILESCC1CN(c2ccc3ccccc3n2)CCN1CCCN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C25H26N4O2/c1-18-17-28(23-12-11-19-7-2-5-10-22(19)26-23)16-15-27(18)13-6-14-29-24(30)20-8-3-4-9-21(20)25(29)31/h2-5,7-12,18H,6,13-17H2,1H3
InChIKeySDGHUAVDABDNPR-UHFFFAOYSA-N
MW414.51 g/mol
LogP3.43
Rot. Bonds5

About 2-[3-(2-methyl-4-quinolin-2-ylpiperazin-1-yl)propyl]isoindole-1,3-dione

2-[3-(2-methyl-4-quinolin-2-ylpiperazin-1-yl)propyl]isoindole-1,3-dione (PubChem CID 25093402) has the molecular formula C25H26N4O2 and a molecular weight of 414.51 g/mol. Its IUPAC name is 2-[3-(2-methyl-4-quinolin-2-ylpiperazin-1-yl)propyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[3-(2-methyl-4-quinolin-2-ylpiperazin-1-yl)propyl]isoindole-1,3-dione
PubChem CID25093402
Molecular FormulaC25H26N4O2
Molecular Weight414.51 g/mol
Exact Mass414.21
IUPAC Name2-[3-(2-methyl-4-quinolin-2-ylpiperazin-1-yl)propyl]isoindole-1,3-dione
SMILESCC1CN(c2ccc3ccccc3n2)CCN1CCCN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C25H26N4O2/c1-18-17-28(23-12-11-19-7-2-5-10-22(19)26-23)16-15-27(18)13-6-14-29-24(30)20-8-3-4-9-21(20)25(29)31/h2-5,7-12,18H,6,13-17H2,1H3
InChIKeySDGHUAVDABDNPR-UHFFFAOYSA-N
XLogP3.43
TPSA56.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 2-[3-(2-methyl-4-quinolin-2-ylpiperazin-1-yl)propyl]isoindole-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

Evodiamine
CID 442088
Gsk2816126
CID 68210102
2-Methyl-1-[5,6,7,8-tetrahydro-4-[(phenylmethyl)amino]pyrido[2,3-d]pyrimidin-2-yl]-1H-indole-4-carboxamide
CID 122685543
Isoevodiamine
CID 151289
Luotonin A
CID 10334120
R-(-)-evodiamine
CID 6971167
Rosettacin
CID 24813913
4-Butyl-N-[2-(4-ethyl-piperazin-1-yl)-4-methyl-quinolin-6-yl]-benzamide
CID 3410248
[2,3-Dihydro-8-(4-methyl-1-piperazinyl)-1H-pyrrolo[3,2-g]isoquinolin-1-yl]-5-quinolinylmethanone
CID 44404241
8-{4-[2-Methyl-4-(quinolin-2-yl)piperazin-1-yl]butyl}-8-azaspiro[4.5]decane-7,9-dione
CID 10003814
2-{4-[4-(quinolin-2-yl)piperazin-1-yl]butyl}-2,3-dihydro-1H-isoindole-1,3-dione
CID 10093232
2-{4-[2-methyl-4-(quinolin-2-yl)piperazin-1-yl]butyl}-2,3-dihydro-1H-isoindole-1,3-dione
CID 25093400

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-methyl-4-quinolin-2-ylpiperazin-1-yl)propyl]isoindole-1,3-dione?
The IUPAC name of 2-[3-(2-methyl-4-quinolin-2-ylpiperazin-1-yl)propyl]isoindole-1,3-dione (CID 25093402) is 2-[3-(2-methyl-4-quinolin-2-ylpiperazin-1-yl)propyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[3-(2-methyl-4-quinolin-2-ylpiperazin-1-yl)propyl]isoindole-1,3-dione?
The canonical SMILES for 2-[3-(2-methyl-4-quinolin-2-ylpiperazin-1-yl)propyl]isoindole-1,3-dione is CC1CN(c2ccc3ccccc3n2)CCN1CCCN1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-[3-(2-methyl-4-quinolin-2-ylpiperazin-1-yl)propyl]isoindole-1,3-dione?
The InChIKey is SDGHUAVDABDNPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O2/c1-18-17-28(23-12-11-19-7-2-5-10-22(19)26-23)16-15-27(18)13-6-14-29-24(30)20-8-3-4-9-21(20)25(29)31/h2-5,7-12,18H,6,13-17H2,1H3.
What are the key properties of 2-[3-(2-methyl-4-quinolin-2-ylpiperazin-1-yl)propyl]isoindole-1,3-dione?
2-[3-(2-methyl-4-quinolin-2-ylpiperazin-1-yl)propyl]isoindole-1,3-dione has a molecular weight of 414.51 g/mol, XLogP of 3.43, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-methyl-4-quinolin-2-ylpiperazin-1-yl)propyl]isoindole-1,3-dione is sourced from PubChem (CID 25093402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).