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

C29H28N2O2 — CID 110549951

IUPAC3-(3,4-dihydro-2H-quinolin-1-yl)-1,4-bis(3,4-dimethylphenyl)pyrrole-2,5-dione
SMILESCc1ccc(C2=C(N3CCCc4ccccc43)C(=O)N(c3ccc(C)c(C)c3)C2=O)cc1C
InChIInChI=1S/C29H28N2O2/c1-18-11-13-23(16-20(18)3)26-27(30-15-7-9-22-8-5-6-10-25(22)30)29(33)31(28(26)32)24-14-12-19(2)21(4)17-24/h5-6,8,10-14,16-17H,7,9,15H2,1-4H3
InChIKeyCOKXESLBEUPGKF-UHFFFAOYSA-N
MW436.56 g/mol
LogP5.66
Rot. Bonds3

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

3-(3,4-dihydro-2H-quinolin-1-yl)-1,4-bis(3,4-dimethylphenyl)pyrrole-2,5-dione (PubChem CID 110549951) has the molecular formula C29H28N2O2 and a molecular weight of 436.56 g/mol. Its IUPAC name is 3-(3,4-dihydro-2H-quinolin-1-yl)-1,4-bis(3,4-dimethylphenyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-(3,4-dihydro-2H-quinolin-1-yl)-1,4-bis(3,4-dimethylphenyl)pyrrole-2,5-dione
PubChem CID110549951
Molecular FormulaC29H28N2O2
Molecular Weight436.56 g/mol
Exact Mass436.22
IUPAC Name3-(3,4-dihydro-2H-quinolin-1-yl)-1,4-bis(3,4-dimethylphenyl)pyrrole-2,5-dione
SMILESCc1ccc(C2=C(N3CCCc4ccccc43)C(=O)N(c3ccc(C)c(C)c3)C2=O)cc1C
InChIInChI=1S/C29H28N2O2/c1-18-11-13-23(16-20(18)3)26-27(30-15-7-9-22-8-5-6-10-25(22)30)29(33)31(28(26)32)24-14-12-19(2)21(4)17-24/h5-6,8,10-14,16-17H,7,9,15H2,1-4H3
InChIKeyCOKXESLBEUPGKF-UHFFFAOYSA-N
XLogP5.66
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.56
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(3,4-dihydro-2H-quinolin-1-yl)-1,4-bis(3,4-dimethylphenyl)pyrrole-2,5-dione with MolForge

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Related Compounds

1-(4-chlorophenyl)-3-(3,4-dihydro-2H-quinolin-1-yl)-4-(3,4-dimethylphenyl)pyrrole-2,5-dione
CID 110550216
3-(2,3-dihydroindol-1-yl)-1-(3,4-dimethoxyphenyl)-4-(3,4-dimethylphenyl)pyrrole-2,5-dione
CID 110550455
3-(3,4-dihydro-2H-quinolin-1-yl)-4-(4-methylphenyl)-1-phenylpyrrole-2,5-dione
CID 110573925
3-(3,4-dihydro-2H-quinolin-1-yl)-4-(3,4-dimethylphenyl)-1-ethylpyrrole-2,5-dione
CID 110548908
3-(3,4-dihydro-2H-quinolin-1-yl)-4-(3,4-dimethylphenyl)-1-propylpyrrole-2,5-dione
CID 110548869
3-(2,3-dihydroindol-1-yl)-4-(2,4-dimethylphenyl)-1-(3,4-dimethylphenyl)pyrrole-2,5-dione
CID 110579587
3-(3,4-dihydro-2H-quinolin-1-yl)-1,4-bis(4-methoxyphenyl)pyrrole-2,5-dione
CID 110557315
3-(2,3-dihydroindol-1-yl)-4-(3,4-dimethylphenyl)-1-(3-propoxyphenyl)pyrrole-2,5-dione
CID 110548165
3-(2,3-dihydroindol-1-yl)-1-(3,4-dimethylphenyl)-4-thiophen-2-ylpyrrole-2,5-dione
CID 110554246
1-(3-chloro-4-methylphenyl)-3-(3,4-dihydro-2H-quinolin-1-yl)-4-thiophen-2-ylpyrrole-2,5-dione
CID 110555069
3-(3,4-dihydro-2H-quinolin-1-yl)-4-(4-methylphenyl)-1-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione
CID 110574156
1-(3-chloro-4-fluorophenyl)-3-(3,4-dihydro-2H-quinolin-1-yl)-4-(4-fluorophenyl)pyrrole-2,5-dione
CID 110545150

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dihydro-2H-quinolin-1-yl)-1,4-bis(3,4-dimethylphenyl)pyrrole-2,5-dione?
The IUPAC name of 3-(3,4-dihydro-2H-quinolin-1-yl)-1,4-bis(3,4-dimethylphenyl)pyrrole-2,5-dione (CID 110549951) is 3-(3,4-dihydro-2H-quinolin-1-yl)-1,4-bis(3,4-dimethylphenyl)pyrrole-2,5-dione.
What is the SMILES notation for 3-(3,4-dihydro-2H-quinolin-1-yl)-1,4-bis(3,4-dimethylphenyl)pyrrole-2,5-dione?
The canonical SMILES for 3-(3,4-dihydro-2H-quinolin-1-yl)-1,4-bis(3,4-dimethylphenyl)pyrrole-2,5-dione is Cc1ccc(C2=C(N3CCCc4ccccc43)C(=O)N(c3ccc(C)c(C)c3)C2=O)cc1C.
What is the InChIKey of 3-(3,4-dihydro-2H-quinolin-1-yl)-1,4-bis(3,4-dimethylphenyl)pyrrole-2,5-dione?
The InChIKey is COKXESLBEUPGKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28N2O2/c1-18-11-13-23(16-20(18)3)26-27(30-15-7-9-22-8-5-6-10-25(22)30)29(33)31(28(26)32)24-14-12-19(2)21(4)17-24/h5-6,8,10-14,16-17H,7,9,15H2,1-4H3.
What are the key properties of 3-(3,4-dihydro-2H-quinolin-1-yl)-1,4-bis(3,4-dimethylphenyl)pyrrole-2,5-dione?
3-(3,4-dihydro-2H-quinolin-1-yl)-1,4-bis(3,4-dimethylphenyl)pyrrole-2,5-dione has a molecular weight of 436.56 g/mol, XLogP of 5.66, 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)-1,4-bis(3,4-dimethylphenyl)pyrrole-2,5-dione is sourced from PubChem (CID 110549951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).