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

C28H30N4O3 — CID 108765059

IUPAC2-[4-methyl-1-[4-(4-methylquinolin-2-yl)piperazin-1-yl]-1-oxopentan-2-yl]isoindole-1,3-dione
SMILESCc1cc(N2CCN(C(=O)C(CC(C)C)N3C(=O)c4ccccc4C3=O)CC2)nc2ccccc12
InChIInChI=1S/C28H30N4O3/c1-18(2)16-24(32-26(33)21-9-4-5-10-22(21)27(32)34)28(35)31-14-12-30(13-15-31)25-17-19(3)20-8-6-7-11-23(20)29-25/h4-11,17-18,24H,12-16H2,1-3H3
InChIKeyAATNKFSETUCIDN-UHFFFAOYSA-N
MW470.57 g/mol
LogP3.90
Rot. Bonds5

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

2-[4-methyl-1-[4-(4-methylquinolin-2-yl)piperazin-1-yl]-1-oxopentan-2-yl]isoindole-1,3-dione (PubChem CID 108765059) has the molecular formula C28H30N4O3 and a molecular weight of 470.57 g/mol. Its IUPAC name is 2-[4-methyl-1-[4-(4-methylquinolin-2-yl)piperazin-1-yl]-1-oxopentan-2-yl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[4-methyl-1-[4-(4-methylquinolin-2-yl)piperazin-1-yl]-1-oxopentan-2-yl]isoindole-1,3-dione
PubChem CID108765059
Molecular FormulaC28H30N4O3
Molecular Weight470.57 g/mol
Exact Mass470.23
IUPAC Name2-[4-methyl-1-[4-(4-methylquinolin-2-yl)piperazin-1-yl]-1-oxopentan-2-yl]isoindole-1,3-dione
SMILESCc1cc(N2CCN(C(=O)C(CC(C)C)N3C(=O)c4ccccc4C3=O)CC2)nc2ccccc12
InChIInChI=1S/C28H30N4O3/c1-18(2)16-24(32-26(33)21-9-4-5-10-22(21)27(32)34)28(35)31-14-12-30(13-15-31)25-17-19(3)20-8-6-7-11-23(20)29-25/h4-11,17-18,24H,12-16H2,1-3H3
InChIKeyAATNKFSETUCIDN-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-[4-methyl-1-[4-(4-methylquinolin-2-yl)piperazin-1-yl]-1-oxopentan-2-yl]isoindole-1,3-dione with MolForge

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Related Compounds

2-[3-methyl-1-[4-(4-methylquinolin-2-yl)piperazin-1-yl]-1-oxobutan-2-yl]isoindole-1,3-dione
CID 108765060
2-[3-methyl-1-[4-(4-methylquinolin-2-yl)piperazin-1-yl]-1-oxopentan-2-yl]isoindole-1,3-dione
CID 108742584
2-[4-methyl-1-oxo-1-[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]pentan-2-yl]isoindole-1,3-dione
CID 108759645
3-methyl-1-[4-(4-methylquinolin-2-yl)piperazin-1-yl]butan-1-one
CID 108765024
2-[(2S)-4-methyl-1-oxo-1-piperidin-1-ylpentan-2-yl]isoindole-1,3-dione
CID 740431
5-bromo-2-[2-[4-(4-methylquinolin-2-yl)piperazin-1-yl]-2-oxoethyl]isoindole-1,3-dione
CID 108742586
2-[4-[4-(4-methylquinolin-2-yl)piperazine-1-carbonyl]phenyl]isoindole-1,3-dione
CID 108765052
4-(4-methylquinolin-2-yl)-N-propan-2-ylpiperazine-1-carboxamide;hydrochloride
CID 45370344
2-[2-[4-(4-methylquinolin-2-yl)piperazin-1-yl]-2-oxoethyl]-5-nitroisoindole-1,3-dione
CID 108742590
2-[1-oxo-1-(4-quinoxalin-2-ylpiperazin-1-yl)propan-2-yl]isoindole-1,3-dione
CID 108763935
2-[1-(3,4-dihydroxypyrrolidin-1-yl)-4-methyl-1-oxopentan-2-yl]isoindole-1,3-dione
CID 72591163
2-[(2S)-1-(4-benzylpiperidin-1-yl)-4-methyl-1-oxopentan-2-yl]isoindole-1,3-dione
CID 118729481

Frequently Asked Questions

What is the IUPAC name of 2-[4-methyl-1-[4-(4-methylquinolin-2-yl)piperazin-1-yl]-1-oxopentan-2-yl]isoindole-1,3-dione?
The IUPAC name of 2-[4-methyl-1-[4-(4-methylquinolin-2-yl)piperazin-1-yl]-1-oxopentan-2-yl]isoindole-1,3-dione (CID 108765059) is 2-[4-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-[4-methyl-1-[4-(4-methylquinolin-2-yl)piperazin-1-yl]-1-oxopentan-2-yl]isoindole-1,3-dione?
The canonical SMILES for 2-[4-methyl-1-[4-(4-methylquinolin-2-yl)piperazin-1-yl]-1-oxopentan-2-yl]isoindole-1,3-dione is Cc1cc(N2CCN(C(=O)C(CC(C)C)N3C(=O)c4ccccc4C3=O)CC2)nc2ccccc12.
What is the InChIKey of 2-[4-methyl-1-[4-(4-methylquinolin-2-yl)piperazin-1-yl]-1-oxopentan-2-yl]isoindole-1,3-dione?
The InChIKey is AATNKFSETUCIDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N4O3/c1-18(2)16-24(32-26(33)21-9-4-5-10-22(21)27(32)34)28(35)31-14-12-30(13-15-31)25-17-19(3)20-8-6-7-11-23(20)29-25/h4-11,17-18,24H,12-16H2,1-3H3.
What are the key properties of 2-[4-methyl-1-[4-(4-methylquinolin-2-yl)piperazin-1-yl]-1-oxopentan-2-yl]isoindole-1,3-dione?
2-[4-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-[4-methyl-1-[4-(4-methylquinolin-2-yl)piperazin-1-yl]-1-oxopentan-2-yl]isoindole-1,3-dione is sourced from PubChem (CID 108765059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).