2-[3-(4,6,8-trimethyl-2-oxoquinolin-1-yl)propyl]isoindole-1,3-dione

C23H22N2O3 — CID 39768357

IUPAC2-[3-(4,6,8-trimethyl-2-oxoquinolin-1-yl)propyl]isoindole-1,3-dione
SMILESCc1cc(C)c2c(c1)c(C)cc(=O)n2CCCN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C23H22N2O3/c1-14-11-16(3)21-19(12-14)15(2)13-20(26)24(21)9-6-10-25-22(27)17-7-4-5-8-18(17)23(25)28/h4-5,7-8,11-13H,6,9-10H2,1-3H3
InChIKeyLCXXZGDGAPBTQY-UHFFFAOYSA-N
MW374.44 g/mol
LogP3.61
Rot. Bonds4

About 2-[3-(4,6,8-trimethyl-2-oxoquinolin-1-yl)propyl]isoindole-1,3-dione

2-[3-(4,6,8-trimethyl-2-oxoquinolin-1-yl)propyl]isoindole-1,3-dione (PubChem CID 39768357) has the molecular formula C23H22N2O3 and a molecular weight of 374.44 g/mol. Its IUPAC name is 2-[3-(4,6,8-trimethyl-2-oxoquinolin-1-yl)propyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[3-(4,6,8-trimethyl-2-oxoquinolin-1-yl)propyl]isoindole-1,3-dione
PubChem CID39768357
Molecular FormulaC23H22N2O3
Molecular Weight374.44 g/mol
Exact Mass374.16
IUPAC Name2-[3-(4,6,8-trimethyl-2-oxoquinolin-1-yl)propyl]isoindole-1,3-dione
SMILESCc1cc(C)c2c(c1)c(C)cc(=O)n2CCCN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C23H22N2O3/c1-14-11-16(3)21-19(12-14)15(2)13-20(26)24(21)9-6-10-25-22(27)17-7-4-5-8-18(17)23(25)28/h4-5,7-8,11-13H,6,9-10H2,1-3H3
InChIKeyLCXXZGDGAPBTQY-UHFFFAOYSA-N
XLogP3.61
TPSA59.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[3-(4,6,8-trimethyl-2-oxoquinolin-1-yl)propyl]isoindole-1,3-dione with MolForge

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Related Compounds

ML SA1
CID 2880983
2-(2-Methylphenyl)-1H-isoindole-1,3(2H)-dione
CID 94776
2,3-Dihydro-2-phenyl-1H-isoindol-1-one
CID 97035
2,6-Dimethylphenylphthalimide
CID 73324
2-(1,3-Dioxo-1,3-dihydro-isoindol-2-YL)-N-P-tolyl-acetamide
CID 344672
3-(1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-N-o-tolyl-propionamide
CID 721309
SF-51
CID 1219451
2-[4-(dimethylamino)phenyl]-1H-isoindole-1,3(2H)-dione
CID 748674
3-(4-Dimethylaminonaphthalen-1-ylmethylene)-1,3-dihydroindol-2-one
CID 24906291
3-(4-Dimethylamino-naphthalen-1-ylmethylene)-1,3-dihydro-indol-2-one
CID 9839842
3-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-N-(3-methylphenyl)propanamide
CID 682204
N-(2,4-Dimethyl-phenyl)-2-(1,3-dioxo-1,3-dihydro-isoindol-2-yl)-acetamide
CID 2785144

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4,6,8-trimethyl-2-oxoquinolin-1-yl)propyl]isoindole-1,3-dione?
The IUPAC name of 2-[3-(4,6,8-trimethyl-2-oxoquinolin-1-yl)propyl]isoindole-1,3-dione (CID 39768357) is 2-[3-(4,6,8-trimethyl-2-oxoquinolin-1-yl)propyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[3-(4,6,8-trimethyl-2-oxoquinolin-1-yl)propyl]isoindole-1,3-dione?
The canonical SMILES for 2-[3-(4,6,8-trimethyl-2-oxoquinolin-1-yl)propyl]isoindole-1,3-dione is Cc1cc(C)c2c(c1)c(C)cc(=O)n2CCCN1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-[3-(4,6,8-trimethyl-2-oxoquinolin-1-yl)propyl]isoindole-1,3-dione?
The InChIKey is LCXXZGDGAPBTQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O3/c1-14-11-16(3)21-19(12-14)15(2)13-20(26)24(21)9-6-10-25-22(27)17-7-4-5-8-18(17)23(25)28/h4-5,7-8,11-13H,6,9-10H2,1-3H3.
What are the key properties of 2-[3-(4,6,8-trimethyl-2-oxoquinolin-1-yl)propyl]isoindole-1,3-dione?
2-[3-(4,6,8-trimethyl-2-oxoquinolin-1-yl)propyl]isoindole-1,3-dione has a molecular weight of 374.44 g/mol, XLogP of 3.61, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4,6,8-trimethyl-2-oxoquinolin-1-yl)propyl]isoindole-1,3-dione is sourced from PubChem (CID 39768357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).