3-(3,4-dihydro-2H-quinolin-1-yl)-4-(3,4-dimethylphenyl)-1-ethylpyrrole-2,5-dione

C23H24N2O2 — CID 110548908

IUPAC3-(3,4-dihydro-2H-quinolin-1-yl)-4-(3,4-dimethylphenyl)-1-ethylpyrrole-2,5-dione
SMILESCCN1C(=O)C(c2ccc(C)c(C)c2)=C(N2CCCc3ccccc32)C1=O
InChIInChI=1S/C23H24N2O2/c1-4-24-22(26)20(18-12-11-15(2)16(3)14-18)21(23(24)27)25-13-7-9-17-8-5-6-10-19(17)25/h5-6,8,10-12,14H,4,7,9,13H2,1-3H3
InChIKeyGDAOVKNMWQFBNN-UHFFFAOYSA-N
MW360.46 g/mol
LogP3.86
Rot. Bonds3

About 3-(3,4-dihydro-2H-quinolin-1-yl)-4-(3,4-dimethylphenyl)-1-ethylpyrrole-2,5-dione

3-(3,4-dihydro-2H-quinolin-1-yl)-4-(3,4-dimethylphenyl)-1-ethylpyrrole-2,5-dione (PubChem CID 110548908) has the molecular formula C23H24N2O2 and a molecular weight of 360.46 g/mol. Its IUPAC name is 3-(3,4-dihydro-2H-quinolin-1-yl)-4-(3,4-dimethylphenyl)-1-ethylpyrrole-2,5-dione.

Molecular Properties

Compound Name3-(3,4-dihydro-2H-quinolin-1-yl)-4-(3,4-dimethylphenyl)-1-ethylpyrrole-2,5-dione
PubChem CID110548908
Molecular FormulaC23H24N2O2
Molecular Weight360.46 g/mol
Exact Mass360.18
IUPAC Name3-(3,4-dihydro-2H-quinolin-1-yl)-4-(3,4-dimethylphenyl)-1-ethylpyrrole-2,5-dione
SMILESCCN1C(=O)C(c2ccc(C)c(C)c2)=C(N2CCCc3ccccc32)C1=O
InChIInChI=1S/C23H24N2O2/c1-4-24-22(26)20(18-12-11-15(2)16(3)14-18)21(23(24)27)25-13-7-9-17-8-5-6-10-19(17)25/h5-6,8,10-12,14H,4,7,9,13H2,1-3H3
InChIKeyGDAOVKNMWQFBNN-UHFFFAOYSA-N
XLogP3.86
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dihydro-2H-quinolin-1-yl)-4-(3,4-dimethylphenyl)-1-ethylpyrrole-2,5-dione?
The IUPAC name of 3-(3,4-dihydro-2H-quinolin-1-yl)-4-(3,4-dimethylphenyl)-1-ethylpyrrole-2,5-dione (CID 110548908) is 3-(3,4-dihydro-2H-quinolin-1-yl)-4-(3,4-dimethylphenyl)-1-ethylpyrrole-2,5-dione.
What is the SMILES notation for 3-(3,4-dihydro-2H-quinolin-1-yl)-4-(3,4-dimethylphenyl)-1-ethylpyrrole-2,5-dione?
The canonical SMILES for 3-(3,4-dihydro-2H-quinolin-1-yl)-4-(3,4-dimethylphenyl)-1-ethylpyrrole-2,5-dione is CCN1C(=O)C(c2ccc(C)c(C)c2)=C(N2CCCc3ccccc32)C1=O.
What is the InChIKey of 3-(3,4-dihydro-2H-quinolin-1-yl)-4-(3,4-dimethylphenyl)-1-ethylpyrrole-2,5-dione?
The InChIKey is GDAOVKNMWQFBNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O2/c1-4-24-22(26)20(18-12-11-15(2)16(3)14-18)21(23(24)27)25-13-7-9-17-8-5-6-10-19(17)25/h5-6,8,10-12,14H,4,7,9,13H2,1-3H3.
What are the key properties of 3-(3,4-dihydro-2H-quinolin-1-yl)-4-(3,4-dimethylphenyl)-1-ethylpyrrole-2,5-dione?
3-(3,4-dihydro-2H-quinolin-1-yl)-4-(3,4-dimethylphenyl)-1-ethylpyrrole-2,5-dione has a molecular weight of 360.46 g/mol, XLogP of 3.86, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dihydro-2H-quinolin-1-yl)-4-(3,4-dimethylphenyl)-1-ethylpyrrole-2,5-dione is sourced from PubChem (CID 110548908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).