1-cyclohexyl-3-(3,4-dihydro-2H-quinolin-1-yl)-4-thiophen-2-ylpyrrole-2,5-dione

C23H24N2O2S — CID 110553150

IUPAC1-cyclohexyl-3-(3,4-dihydro-2H-quinolin-1-yl)-4-thiophen-2-ylpyrrole-2,5-dione
SMILESO=C1C(c2cccs2)=C(N2CCCc3ccccc32)C(=O)N1C1CCCCC1
InChIInChI=1S/C23H24N2O2S/c26-22-20(19-13-7-15-28-19)21(23(27)25(22)17-10-2-1-3-11-17)24-14-6-9-16-8-4-5-12-18(16)24/h4-5,7-8,12-13,15,17H,1-3,6,9-11,14H2
InChIKeyNVPAPBVOTQOMBE-UHFFFAOYSA-N
MW392.52 g/mol
LogP4.61
Rot. Bonds3

About 1-cyclohexyl-3-(3,4-dihydro-2H-quinolin-1-yl)-4-thiophen-2-ylpyrrole-2,5-dione

1-cyclohexyl-3-(3,4-dihydro-2H-quinolin-1-yl)-4-thiophen-2-ylpyrrole-2,5-dione (PubChem CID 110553150) has the molecular formula C23H24N2O2S and a molecular weight of 392.52 g/mol. Its IUPAC name is 1-cyclohexyl-3-(3,4-dihydro-2H-quinolin-1-yl)-4-thiophen-2-ylpyrrole-2,5-dione.

Molecular Properties

Compound Name1-cyclohexyl-3-(3,4-dihydro-2H-quinolin-1-yl)-4-thiophen-2-ylpyrrole-2,5-dione
PubChem CID110553150
Molecular FormulaC23H24N2O2S
Molecular Weight392.52 g/mol
Exact Mass392.16
IUPAC Name1-cyclohexyl-3-(3,4-dihydro-2H-quinolin-1-yl)-4-thiophen-2-ylpyrrole-2,5-dione
SMILESO=C1C(c2cccs2)=C(N2CCCc3ccccc32)C(=O)N1C1CCCCC1
InChIInChI=1S/C23H24N2O2S/c26-22-20(19-13-7-15-28-19)21(23(27)25(22)17-10-2-1-3-11-17)24-14-6-9-16-8-4-5-12-18(16)24/h4-5,7-8,12-13,15,17H,1-3,6,9-11,14H2
InChIKeyNVPAPBVOTQOMBE-UHFFFAOYSA-N
XLogP4.61
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.52
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-cyclohexyl-3-(3,4-dihydro-2H-quinolin-1-yl)-4-thiophen-2-ylpyrrole-2,5-dione with MolForge

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Related Compounds

1-cycloheptyl-3-(3,4-dihydro-1H-isoquinolin-2-yl)-4-thiophen-2-ylpyrrole-2,5-dione
CID 110553170
3-(4-chlorophenyl)-1-cyclohexyl-4-(3,4-dihydro-2H-quinolin-1-yl)pyrrole-2,5-dione
CID 110569799
3-(3,4-dihydro-2H-quinolin-1-yl)-1-(4-fluorophenyl)-4-thiophen-2-ylpyrrole-2,5-dione
CID 110553962
1-cyclooctyl-3-(4-phenylpiperazin-1-yl)-4-thiophen-2-ylpyrrole-2,5-dione
CID 110553211
1-cycloheptyl-3-(4-phenylpiperazin-1-yl)-4-thiophen-2-ylpyrrole-2,5-dione
CID 110553176
1-[(2-chlorophenyl)methyl]-3-(3,4-dihydro-2H-quinolin-1-yl)-4-thiophen-2-ylpyrrole-2,5-dione
CID 110552521
3-chloro-1-cyclohexyl-4-thiophen-2-ylpyrrole-2,5-dione
CID 110583044
1-cycloheptyl-3-(2,3-dihydroindol-1-yl)-4-(4-fluorophenyl)pyrrole-2,5-dione
CID 110543980
3-(2,3-dihydroindol-1-yl)-1-methyl-4-thiophen-2-ylpyrrole-2,5-dione
CID 110553012
1-cycloheptyl-3-(3,5-dimethylpiperidin-1-yl)-4-thiophen-2-ylpyrrole-2,5-dione
CID 110553167
1-(3-chloro-4-methylphenyl)-3-(3,4-dihydro-2H-quinolin-1-yl)-4-thiophen-2-ylpyrrole-2,5-dione
CID 110555069
1-cyclooctyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)-4-thiophen-2-ylpyrrole-2,5-dione
CID 110553213

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-(3,4-dihydro-2H-quinolin-1-yl)-4-thiophen-2-ylpyrrole-2,5-dione?
The IUPAC name of 1-cyclohexyl-3-(3,4-dihydro-2H-quinolin-1-yl)-4-thiophen-2-ylpyrrole-2,5-dione (CID 110553150) is 1-cyclohexyl-3-(3,4-dihydro-2H-quinolin-1-yl)-4-thiophen-2-ylpyrrole-2,5-dione.
What is the SMILES notation for 1-cyclohexyl-3-(3,4-dihydro-2H-quinolin-1-yl)-4-thiophen-2-ylpyrrole-2,5-dione?
The canonical SMILES for 1-cyclohexyl-3-(3,4-dihydro-2H-quinolin-1-yl)-4-thiophen-2-ylpyrrole-2,5-dione is O=C1C(c2cccs2)=C(N2CCCc3ccccc32)C(=O)N1C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-(3,4-dihydro-2H-quinolin-1-yl)-4-thiophen-2-ylpyrrole-2,5-dione?
The InChIKey is NVPAPBVOTQOMBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O2S/c26-22-20(19-13-7-15-28-19)21(23(27)25(22)17-10-2-1-3-11-17)24-14-6-9-16-8-4-5-12-18(16)24/h4-5,7-8,12-13,15,17H,1-3,6,9-11,14H2.
What are the key properties of 1-cyclohexyl-3-(3,4-dihydro-2H-quinolin-1-yl)-4-thiophen-2-ylpyrrole-2,5-dione?
1-cyclohexyl-3-(3,4-dihydro-2H-quinolin-1-yl)-4-thiophen-2-ylpyrrole-2,5-dione has a molecular weight of 392.52 g/mol, XLogP of 4.61, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-(3,4-dihydro-2H-quinolin-1-yl)-4-thiophen-2-ylpyrrole-2,5-dione is sourced from PubChem (CID 110553150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).