2-[3-methyl-1-[4-(4-methylquinolin-2-yl)piperazin-1-yl]-1-oxopentan-2-yl]isoindole-1,3-dione

C28H30N4O3 — CID 108742584

IUPAC2-[3-methyl-1-[4-(4-methylquinolin-2-yl)piperazin-1-yl]-1-oxopentan-2-yl]isoindole-1,3-dione
SMILESCCC(C)C(C(=O)N1CCN(c2cc(C)c3ccccc3n2)CC1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C28H30N4O3/c1-4-18(2)25(32-26(33)21-10-5-6-11-22(21)27(32)34)28(35)31-15-13-30(14-16-31)24-17-19(3)20-9-7-8-12-23(20)29-24/h5-12,17-18,25H,4,13-16H2,1-3H3
InChIKeyZRTDOHDGKVJIJG-UHFFFAOYSA-N
MW470.57 g/mol
LogP3.90
Rot. Bonds5

About 2-[3-methyl-1-[4-(4-methylquinolin-2-yl)piperazin-1-yl]-1-oxopentan-2-yl]isoindole-1,3-dione

2-[3-methyl-1-[4-(4-methylquinolin-2-yl)piperazin-1-yl]-1-oxopentan-2-yl]isoindole-1,3-dione (PubChem CID 108742584) has the molecular formula C28H30N4O3 and a molecular weight of 470.57 g/mol. Its IUPAC name is 2-[3-methyl-1-[4-(4-methylquinolin-2-yl)piperazin-1-yl]-1-oxopentan-2-yl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[3-methyl-1-[4-(4-methylquinolin-2-yl)piperazin-1-yl]-1-oxopentan-2-yl]isoindole-1,3-dione
PubChem CID108742584
Molecular FormulaC28H30N4O3
Molecular Weight470.57 g/mol
Exact Mass470.23
IUPAC Name2-[3-methyl-1-[4-(4-methylquinolin-2-yl)piperazin-1-yl]-1-oxopentan-2-yl]isoindole-1,3-dione
SMILESCCC(C)C(C(=O)N1CCN(c2cc(C)c3ccccc3n2)CC1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C28H30N4O3/c1-4-18(2)25(32-26(33)21-10-5-6-11-22(21)27(32)34)28(35)31-15-13-30(14-16-31)24-17-19(3)20-9-7-8-12-23(20)29-24/h5-12,17-18,25H,4,13-16H2,1-3H3
InChIKeyZRTDOHDGKVJIJG-UHFFFAOYSA-N
XLogP3.90
TPSA73.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.57
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[3-methyl-1-[4-(4-methylquinolin-2-yl)piperazin-1-yl]-1-oxopentan-2-yl]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

2-Methyl-1-[5,6,7,8-tetrahydro-4-[(phenylmethyl)amino]pyrido[2,3-d]pyrimidin-2-yl]-1H-indole-4-carboxamide
CID 122685543
Luotonin A
CID 10334120
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
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
2-{3-[2-methyl-4-(quinolin-2-yl)piperazin-1-yl]propyl}-2,3-dihydro-1H-isoindole-1,3-dione
CID 25093402
2-(4-Methyl-piperazin-1-yl)-3-propyl-quinoline-4-carboxylic acid diethylamide
CID 11210859
N-benzyl-N,3-dimethyl-2-(4-methylpiperazin-1-yl)quinoline-4-carboxamide
CID 11222968
3-Methyl-2-(4-methyl-piperazin-1-yl)-quinoline-4-carboxylic acid dibutylamide
CID 11223216
[3-Methyl-2-(4-methyl-piperazin-1-yl)-quinolin-4-yl]-phenyl-methanone
CID 11290923

Frequently Asked Questions

What is the IUPAC name of 2-[3-methyl-1-[4-(4-methylquinolin-2-yl)piperazin-1-yl]-1-oxopentan-2-yl]isoindole-1,3-dione?
The IUPAC name of 2-[3-methyl-1-[4-(4-methylquinolin-2-yl)piperazin-1-yl]-1-oxopentan-2-yl]isoindole-1,3-dione (CID 108742584) is 2-[3-methyl-1-[4-(4-methylquinolin-2-yl)piperazin-1-yl]-1-oxopentan-2-yl]isoindole-1,3-dione.
What is the SMILES notation for 2-[3-methyl-1-[4-(4-methylquinolin-2-yl)piperazin-1-yl]-1-oxopentan-2-yl]isoindole-1,3-dione?
The canonical SMILES for 2-[3-methyl-1-[4-(4-methylquinolin-2-yl)piperazin-1-yl]-1-oxopentan-2-yl]isoindole-1,3-dione is CCC(C)C(C(=O)N1CCN(c2cc(C)c3ccccc3n2)CC1)N1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-[3-methyl-1-[4-(4-methylquinolin-2-yl)piperazin-1-yl]-1-oxopentan-2-yl]isoindole-1,3-dione?
The InChIKey is ZRTDOHDGKVJIJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N4O3/c1-4-18(2)25(32-26(33)21-10-5-6-11-22(21)27(32)34)28(35)31-15-13-30(14-16-31)24-17-19(3)20-9-7-8-12-23(20)29-24/h5-12,17-18,25H,4,13-16H2,1-3H3.
What are the key properties of 2-[3-methyl-1-[4-(4-methylquinolin-2-yl)piperazin-1-yl]-1-oxopentan-2-yl]isoindole-1,3-dione?
2-[3-methyl-1-[4-(4-methylquinolin-2-yl)piperazin-1-yl]-1-oxopentan-2-yl]isoindole-1,3-dione has a molecular weight of 470.57 g/mol, XLogP of 3.90, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methyl-1-[4-(4-methylquinolin-2-yl)piperazin-1-yl]-1-oxopentan-2-yl]isoindole-1,3-dione is sourced from PubChem (CID 108742584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).