2-cyclohexyl-5-[4-(4-methylquinolin-2-yl)piperazine-1-carbonyl]isoindole-1,3-dione

C29H30N4O3 — CID 108765051

IUPAC2-cyclohexyl-5-[4-(4-methylquinolin-2-yl)piperazine-1-carbonyl]isoindole-1,3-dione
SMILESCc1cc(N2CCN(C(=O)c3ccc4c(c3)C(=O)N(C3CCCCC3)C4=O)CC2)nc2ccccc12
InChIInChI=1S/C29H30N4O3/c1-19-17-26(30-25-10-6-5-9-22(19)25)31-13-15-32(16-14-31)27(34)20-11-12-23-24(18-20)29(36)33(28(23)35)21-7-3-2-4-8-21/h5-6,9-12,17-18,21H,2-4,7-8,13-16H2,1H3
InChIKeyUZKITBRVTUTMCB-UHFFFAOYSA-N
MW482.58 g/mol
LogP4.43
Rot. Bonds3

About 2-cyclohexyl-5-[4-(4-methylquinolin-2-yl)piperazine-1-carbonyl]isoindole-1,3-dione

2-cyclohexyl-5-[4-(4-methylquinolin-2-yl)piperazine-1-carbonyl]isoindole-1,3-dione (PubChem CID 108765051) has the molecular formula C29H30N4O3 and a molecular weight of 482.58 g/mol. Its IUPAC name is 2-cyclohexyl-5-[4-(4-methylquinolin-2-yl)piperazine-1-carbonyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-cyclohexyl-5-[4-(4-methylquinolin-2-yl)piperazine-1-carbonyl]isoindole-1,3-dione
PubChem CID108765051
Molecular FormulaC29H30N4O3
Molecular Weight482.58 g/mol
Exact Mass482.23
IUPAC Name2-cyclohexyl-5-[4-(4-methylquinolin-2-yl)piperazine-1-carbonyl]isoindole-1,3-dione
SMILESCc1cc(N2CCN(C(=O)c3ccc4c(c3)C(=O)N(C3CCCCC3)C4=O)CC2)nc2ccccc12
InChIInChI=1S/C29H30N4O3/c1-19-17-26(30-25-10-6-5-9-22(19)25)31-13-15-32(16-14-31)27(34)20-11-12-23-24(18-20)29(36)33(28(23)35)21-7-3-2-4-8-21/h5-6,9-12,17-18,21H,2-4,7-8,13-16H2,1H3
InChIKeyUZKITBRVTUTMCB-UHFFFAOYSA-N
XLogP4.43
TPSA73.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.58
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-cyclohexyl-5-[4-(4-methylquinolin-2-yl)piperazine-1-carbonyl]isoindole-1,3-dione with MolForge

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Related Compounds

2-[4-[4-(4-methylquinolin-2-yl)piperazine-1-carbonyl]phenyl]isoindole-1,3-dione
CID 108765052
methyl 4-(2-cyclohexyl-1,3-dioxoisoindole-5-carbonyl)piperazine-1-carboxylate
CID 108568364
(4-ethoxyphenyl)-[4-(4-methylquinolin-2-yl)piperazin-1-yl]methanone
CID 108765053
5-[4-(2-chloroacetyl)piperazine-1-carbonyl]-2-cyclohexylisoindole-1,3-dione
CID 108568370
5-bromo-2-[2-[4-(4-methylquinolin-2-yl)piperazin-1-yl]-2-oxoethyl]isoindole-1,3-dione
CID 108742586
5-(4-aminopiperidine-1-carbonyl)-2-cyclohexylisoindole-1,3-dione;hydrochloride
CID 119373915
1-(2-cyclohexyl-1,3-dioxoisoindole-5-carbonyl)-5-methylpiperidine-3-carboxylic acid
CID 122119284
2-[3-methyl-1-[4-(4-methylquinolin-2-yl)piperazin-1-yl]-1-oxobutan-2-yl]isoindole-1,3-dione
CID 108765060
5-[4-(3-chloropropanoyl)piperazine-1-carbonyl]-2-cyclohexylisoindole-1,3-dione
CID 108568363
(2-bromophenyl)-[4-(4-methylquinolin-2-yl)piperazin-1-yl]methanone
CID 108765029
(2-fluorophenyl)-[4-(4-methylquinolin-2-yl)piperazin-1-yl]methanone
CID 108765021
2-[4-methyl-1-[4-(4-methylquinolin-2-yl)piperazin-1-yl]-1-oxopentan-2-yl]isoindole-1,3-dione
CID 108765059

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-5-[4-(4-methylquinolin-2-yl)piperazine-1-carbonyl]isoindole-1,3-dione?
The IUPAC name of 2-cyclohexyl-5-[4-(4-methylquinolin-2-yl)piperazine-1-carbonyl]isoindole-1,3-dione (CID 108765051) is 2-cyclohexyl-5-[4-(4-methylquinolin-2-yl)piperazine-1-carbonyl]isoindole-1,3-dione.
What is the SMILES notation for 2-cyclohexyl-5-[4-(4-methylquinolin-2-yl)piperazine-1-carbonyl]isoindole-1,3-dione?
The canonical SMILES for 2-cyclohexyl-5-[4-(4-methylquinolin-2-yl)piperazine-1-carbonyl]isoindole-1,3-dione is Cc1cc(N2CCN(C(=O)c3ccc4c(c3)C(=O)N(C3CCCCC3)C4=O)CC2)nc2ccccc12.
What is the InChIKey of 2-cyclohexyl-5-[4-(4-methylquinolin-2-yl)piperazine-1-carbonyl]isoindole-1,3-dione?
The InChIKey is UZKITBRVTUTMCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N4O3/c1-19-17-26(30-25-10-6-5-9-22(19)25)31-13-15-32(16-14-31)27(34)20-11-12-23-24(18-20)29(36)33(28(23)35)21-7-3-2-4-8-21/h5-6,9-12,17-18,21H,2-4,7-8,13-16H2,1H3.
What are the key properties of 2-cyclohexyl-5-[4-(4-methylquinolin-2-yl)piperazine-1-carbonyl]isoindole-1,3-dione?
2-cyclohexyl-5-[4-(4-methylquinolin-2-yl)piperazine-1-carbonyl]isoindole-1,3-dione has a molecular weight of 482.58 g/mol, XLogP of 4.43, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-5-[4-(4-methylquinolin-2-yl)piperazine-1-carbonyl]isoindole-1,3-dione is sourced from PubChem (CID 108765051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).