2-[4-[4-(4-methylquinolin-2-yl)piperazine-1-carbonyl]phenyl]isoindole-1,3-dione

C29H24N4O3 — CID 108765052

IUPAC2-[4-[4-(4-methylquinolin-2-yl)piperazine-1-carbonyl]phenyl]isoindole-1,3-dione
SMILESCc1cc(N2CCN(C(=O)c3ccc(N4C(=O)c5ccccc5C4=O)cc3)CC2)nc2ccccc12
InChIInChI=1S/C29H24N4O3/c1-19-18-26(30-25-9-5-4-6-22(19)25)31-14-16-32(17-15-31)27(34)20-10-12-21(13-11-20)33-28(35)23-7-2-3-8-24(23)29(33)36/h2-13,18H,14-17H2,1H3
InChIKeyMHTLZSWFMAIBOC-UHFFFAOYSA-N
MW476.54 g/mol
LogP4.31
Rot. Bonds3

About 2-[4-[4-(4-methylquinolin-2-yl)piperazine-1-carbonyl]phenyl]isoindole-1,3-dione

2-[4-[4-(4-methylquinolin-2-yl)piperazine-1-carbonyl]phenyl]isoindole-1,3-dione (PubChem CID 108765052) has the molecular formula C29H24N4O3 and a molecular weight of 476.54 g/mol. Its IUPAC name is 2-[4-[4-(4-methylquinolin-2-yl)piperazine-1-carbonyl]phenyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[4-[4-(4-methylquinolin-2-yl)piperazine-1-carbonyl]phenyl]isoindole-1,3-dione
PubChem CID108765052
Molecular FormulaC29H24N4O3
Molecular Weight476.54 g/mol
Exact Mass476.18
IUPAC Name2-[4-[4-(4-methylquinolin-2-yl)piperazine-1-carbonyl]phenyl]isoindole-1,3-dione
SMILESCc1cc(N2CCN(C(=O)c3ccc(N4C(=O)c5ccccc5C4=O)cc3)CC2)nc2ccccc12
InChIInChI=1S/C29H24N4O3/c1-19-18-26(30-25-9-5-4-6-22(19)25)31-14-16-32(17-15-31)27(34)20-10-12-21(13-11-20)33-28(35)23-7-2-3-8-24(23)29(33)36/h2-13,18H,14-17H2,1H3
InChIKeyMHTLZSWFMAIBOC-UHFFFAOYSA-N
XLogP4.31
TPSA73.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.54
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[4-[4-(4-methylquinolin-2-yl)piperazine-1-carbonyl]phenyl]isoindole-1,3-dione with MolForge

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Related Compounds

2-cyclohexyl-5-[4-(4-methylquinolin-2-yl)piperazine-1-carbonyl]isoindole-1,3-dione
CID 108765051
(4-ethoxyphenyl)-[4-(4-methylquinolin-2-yl)piperazin-1-yl]methanone
CID 108765053
2-[3-methyl-1-[4-(4-methylquinolin-2-yl)piperazin-1-yl]-1-oxobutan-2-yl]isoindole-1,3-dione
CID 108765060
2-[4-[4-(6-phenylpyrimidin-4-yl)piperazine-1-carbonyl]phenyl]isoindole-1,3-dione
CID 108759639
(2-fluorophenyl)-[4-(4-methylquinolin-2-yl)piperazin-1-yl]methanone
CID 108765021
(2-bromophenyl)-[4-(4-methylquinolin-2-yl)piperazin-1-yl]methanone
CID 108765029
2-[4-methyl-1-[4-(4-methylquinolin-2-yl)piperazin-1-yl]-1-oxopentan-2-yl]isoindole-1,3-dione
CID 108765059
2-[3-methyl-1-[4-(4-methylquinolin-2-yl)piperazin-1-yl]-1-oxopentan-2-yl]isoindole-1,3-dione
CID 108742584
[4-(4-methylquinolin-2-yl)piperazin-1-yl]-(5-methylthiophen-2-yl)methanone
CID 60526988
5-bromo-2-[2-[4-(4-methylquinolin-2-yl)piperazin-1-yl]-2-oxoethyl]isoindole-1,3-dione
CID 108742586
N-[4-cyano-1-(4-methylquinolin-2-yl)pyrazol-5-yl]-4-(1,3-dioxoisoindol-2-yl)benzamide
CID 108769497
2-[4-[4-(4-ethylbenzoyl)piperazin-1-yl]phenyl]isoindole-1,3-dione
CID 168517457

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(4-methylquinolin-2-yl)piperazine-1-carbonyl]phenyl]isoindole-1,3-dione?
The IUPAC name of 2-[4-[4-(4-methylquinolin-2-yl)piperazine-1-carbonyl]phenyl]isoindole-1,3-dione (CID 108765052) is 2-[4-[4-(4-methylquinolin-2-yl)piperazine-1-carbonyl]phenyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[4-[4-(4-methylquinolin-2-yl)piperazine-1-carbonyl]phenyl]isoindole-1,3-dione?
The canonical SMILES for 2-[4-[4-(4-methylquinolin-2-yl)piperazine-1-carbonyl]phenyl]isoindole-1,3-dione is Cc1cc(N2CCN(C(=O)c3ccc(N4C(=O)c5ccccc5C4=O)cc3)CC2)nc2ccccc12.
What is the InChIKey of 2-[4-[4-(4-methylquinolin-2-yl)piperazine-1-carbonyl]phenyl]isoindole-1,3-dione?
The InChIKey is MHTLZSWFMAIBOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24N4O3/c1-19-18-26(30-25-9-5-4-6-22(19)25)31-14-16-32(17-15-31)27(34)20-10-12-21(13-11-20)33-28(35)23-7-2-3-8-24(23)29(33)36/h2-13,18H,14-17H2,1H3.
What are the key properties of 2-[4-[4-(4-methylquinolin-2-yl)piperazine-1-carbonyl]phenyl]isoindole-1,3-dione?
2-[4-[4-(4-methylquinolin-2-yl)piperazine-1-carbonyl]phenyl]isoindole-1,3-dione has a molecular weight of 476.54 g/mol, XLogP of 4.31, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(4-methylquinolin-2-yl)piperazine-1-carbonyl]phenyl]isoindole-1,3-dione is sourced from PubChem (CID 108765052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).