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

C27H24N2O4 — CID 110557315

IUPAC3-(3,4-dihydro-2H-quinolin-1-yl)-1,4-bis(4-methoxyphenyl)pyrrole-2,5-dione
SMILESCOc1ccc(C2=C(N3CCCc4ccccc43)C(=O)N(c3ccc(OC)cc3)C2=O)cc1
InChIInChI=1S/C27H24N2O4/c1-32-21-13-9-19(10-14-21)24-25(28-17-5-7-18-6-3-4-8-23(18)28)27(31)29(26(24)30)20-11-15-22(33-2)16-12-20/h3-4,6,8-16H,5,7,17H2,1-2H3
InChIKeyWLPZCGPFKPDVBD-UHFFFAOYSA-N
MW440.50 g/mol
LogP4.44
Rot. Bonds5

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

3-(3,4-dihydro-2H-quinolin-1-yl)-1,4-bis(4-methoxyphenyl)pyrrole-2,5-dione (PubChem CID 110557315) has the molecular formula C27H24N2O4 and a molecular weight of 440.50 g/mol. Its IUPAC name is 3-(3,4-dihydro-2H-quinolin-1-yl)-1,4-bis(4-methoxyphenyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-(3,4-dihydro-2H-quinolin-1-yl)-1,4-bis(4-methoxyphenyl)pyrrole-2,5-dione
PubChem CID110557315
Molecular FormulaC27H24N2O4
Molecular Weight440.50 g/mol
Exact Mass440.17
IUPAC Name3-(3,4-dihydro-2H-quinolin-1-yl)-1,4-bis(4-methoxyphenyl)pyrrole-2,5-dione
SMILESCOc1ccc(C2=C(N3CCCc4ccccc43)C(=O)N(c3ccc(OC)cc3)C2=O)cc1
InChIInChI=1S/C27H24N2O4/c1-32-21-13-9-19(10-14-21)24-25(28-17-5-7-18-6-3-4-8-23(18)28)27(31)29(26(24)30)20-11-15-22(33-2)16-12-20/h3-4,6,8-16H,5,7,17H2,1-2H3
InChIKeyWLPZCGPFKPDVBD-UHFFFAOYSA-N
XLogP4.44
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.50
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2,3-dihydroindol-1-yl)-1-(4-methoxyphenyl)-4-phenylpyrrole-2,5-dione
CID 110560752
3-(3,4-dihydro-2H-quinolin-1-yl)-1-(3-fluorophenyl)-4-(4-methoxyphenyl)pyrrole-2,5-dione
CID 110557064
3-(2,3-dihydroindol-1-yl)-1-(3,5-dimethoxyphenyl)-4-(4-methoxyphenyl)pyrrole-2,5-dione
CID 110555634
3-(3,4-dihydro-2H-quinolin-1-yl)-1-[3-(dimethylamino)phenyl]-4-(4-methoxyphenyl)pyrrole-2,5-dione
CID 110558151
3-(3,4-dihydro-2H-quinolin-1-yl)-4-(4-methylphenyl)-1-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione
CID 110574156
3-(3,4-dihydro-2H-quinolin-1-yl)-4-(4-methylphenyl)-1-phenylpyrrole-2,5-dione
CID 110573925
3-(2,3-dihydroindol-1-yl)-1-(4-methoxyphenyl)-4-(4-propoxyphenyl)pyrrole-2,5-dione
CID 110577374
3-(3,4-dihydro-2H-quinolin-1-yl)-1-(4-ethylphenyl)-4-phenylpyrrole-2,5-dione
CID 110560853
3-(3,4-dihydro-2H-quinolin-1-yl)-1-(4-ethylphenyl)-4-(4-fluorophenyl)pyrrole-2,5-dione
CID 110544966
3-(3,4-dihydro-2H-quinolin-1-yl)-1,4-bis(3,4-dimethylphenyl)pyrrole-2,5-dione
CID 110549951
3-(2,3-dihydroindol-1-yl)-4-(4-methylphenyl)-1-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione
CID 110574158
1-(4-chlorophenyl)-3-(3,4-dihydro-2H-quinolin-1-yl)-4-(3,4-dimethylphenyl)pyrrole-2,5-dione
CID 110550216

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dihydro-2H-quinolin-1-yl)-1,4-bis(4-methoxyphenyl)pyrrole-2,5-dione?
The IUPAC name of 3-(3,4-dihydro-2H-quinolin-1-yl)-1,4-bis(4-methoxyphenyl)pyrrole-2,5-dione (CID 110557315) is 3-(3,4-dihydro-2H-quinolin-1-yl)-1,4-bis(4-methoxyphenyl)pyrrole-2,5-dione.
What is the SMILES notation for 3-(3,4-dihydro-2H-quinolin-1-yl)-1,4-bis(4-methoxyphenyl)pyrrole-2,5-dione?
The canonical SMILES for 3-(3,4-dihydro-2H-quinolin-1-yl)-1,4-bis(4-methoxyphenyl)pyrrole-2,5-dione is COc1ccc(C2=C(N3CCCc4ccccc43)C(=O)N(c3ccc(OC)cc3)C2=O)cc1.
What is the InChIKey of 3-(3,4-dihydro-2H-quinolin-1-yl)-1,4-bis(4-methoxyphenyl)pyrrole-2,5-dione?
The InChIKey is WLPZCGPFKPDVBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N2O4/c1-32-21-13-9-19(10-14-21)24-25(28-17-5-7-18-6-3-4-8-23(18)28)27(31)29(26(24)30)20-11-15-22(33-2)16-12-20/h3-4,6,8-16H,5,7,17H2,1-2H3.
What are the key properties of 3-(3,4-dihydro-2H-quinolin-1-yl)-1,4-bis(4-methoxyphenyl)pyrrole-2,5-dione?
3-(3,4-dihydro-2H-quinolin-1-yl)-1,4-bis(4-methoxyphenyl)pyrrole-2,5-dione has a molecular weight of 440.50 g/mol, XLogP of 4.44, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dihydro-2H-quinolin-1-yl)-1,4-bis(4-methoxyphenyl)pyrrole-2,5-dione is sourced from PubChem (CID 110557315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).