3-(3,4-dihydro-2H-quinolin-1-yl)-4-(4-methylphenyl)-1-(2-propan-2-yloxyethyl)pyrrole-2,5-dione

C25H28N2O3 — CID 110572583

IUPAC3-(3,4-dihydro-2H-quinolin-1-yl)-4-(4-methylphenyl)-1-(2-propan-2-yloxyethyl)pyrrole-2,5-dione
SMILESCc1ccc(C2=C(N3CCCc4ccccc43)C(=O)N(CCOC(C)C)C2=O)cc1
InChIInChI=1S/C25H28N2O3/c1-17(2)30-16-15-27-24(28)22(20-12-10-18(3)11-13-20)23(25(27)29)26-14-6-8-19-7-4-5-9-21(19)26/h4-5,7,9-13,17H,6,8,14-16H2,1-3H3
InChIKeyNUUKWLYDULUZDS-UHFFFAOYSA-N
MW404.51 g/mol
LogP3.95
Rot. Bonds6

About 3-(3,4-dihydro-2H-quinolin-1-yl)-4-(4-methylphenyl)-1-(2-propan-2-yloxyethyl)pyrrole-2,5-dione

3-(3,4-dihydro-2H-quinolin-1-yl)-4-(4-methylphenyl)-1-(2-propan-2-yloxyethyl)pyrrole-2,5-dione (PubChem CID 110572583) has the molecular formula C25H28N2O3 and a molecular weight of 404.51 g/mol. Its IUPAC name is 3-(3,4-dihydro-2H-quinolin-1-yl)-4-(4-methylphenyl)-1-(2-propan-2-yloxyethyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-(3,4-dihydro-2H-quinolin-1-yl)-4-(4-methylphenyl)-1-(2-propan-2-yloxyethyl)pyrrole-2,5-dione
PubChem CID110572583
Molecular FormulaC25H28N2O3
Molecular Weight404.51 g/mol
Exact Mass404.21
IUPAC Name3-(3,4-dihydro-2H-quinolin-1-yl)-4-(4-methylphenyl)-1-(2-propan-2-yloxyethyl)pyrrole-2,5-dione
SMILESCc1ccc(C2=C(N3CCCc4ccccc43)C(=O)N(CCOC(C)C)C2=O)cc1
InChIInChI=1S/C25H28N2O3/c1-17(2)30-16-15-27-24(28)22(20-12-10-18(3)11-13-20)23(25(27)29)26-14-6-8-19-7-4-5-9-21(19)26/h4-5,7,9-13,17H,6,8,14-16H2,1-3H3
InChIKeyNUUKWLYDULUZDS-UHFFFAOYSA-N
XLogP3.95
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(2,3-dihydroindol-1-yl)-4-(4-methylphenyl)-1-(3-propan-2-yloxypropyl)pyrrole-2,5-dione
CID 110572775
3-(2,3-dihydroindol-1-yl)-4-(3,4-dimethoxyphenyl)-1-(2-propan-2-yloxyethyl)pyrrole-2,5-dione
CID 110564261
3-(3,4-dihydro-2H-quinolin-1-yl)-1-ethyl-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione
CID 110575216
3-(4-methylphenyl)-1-(2-propan-2-yloxyethyl)-4-pyrrolidin-1-ylpyrrole-2,5-dione
CID 110572565
3-(3,4-dihydro-2H-quinolin-1-yl)-4-(4-methylphenyl)-1-(pyridin-2-ylmethyl)pyrrole-2,5-dione
CID 110572184
3-(3,4-dihydro-2H-quinolin-1-yl)-4-(3,4-dimethylphenyl)-1-propylpyrrole-2,5-dione
CID 110548869
3-(3,4-dihydro-2H-quinolin-1-yl)-4-(4-methylphenyl)-1-(pyridin-3-ylmethyl)pyrrole-2,5-dione
CID 110572220
1-butyl-3-(3,4-dihydro-2H-quinolin-1-yl)-4-(4-ethoxyphenyl)pyrrole-2,5-dione
CID 110546556
1-(3-butoxypropyl)-3-(2,3-dihydroindol-1-yl)-4-(4-methylphenyl)pyrrole-2,5-dione
CID 110573052
3-(3,4-dihydro-2H-quinolin-1-yl)-1-methyl-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione
CID 110575255
3-(3,4-dihydro-2H-quinolin-1-yl)-4-(4-methylphenyl)-1-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione
CID 110574156
1-decyl-3-(3,4-dihydro-2H-quinolin-1-yl)-4-phenylpyrrole-2,5-dione
CID 110560027

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dihydro-2H-quinolin-1-yl)-4-(4-methylphenyl)-1-(2-propan-2-yloxyethyl)pyrrole-2,5-dione?
The IUPAC name of 3-(3,4-dihydro-2H-quinolin-1-yl)-4-(4-methylphenyl)-1-(2-propan-2-yloxyethyl)pyrrole-2,5-dione (CID 110572583) is 3-(3,4-dihydro-2H-quinolin-1-yl)-4-(4-methylphenyl)-1-(2-propan-2-yloxyethyl)pyrrole-2,5-dione.
What is the SMILES notation for 3-(3,4-dihydro-2H-quinolin-1-yl)-4-(4-methylphenyl)-1-(2-propan-2-yloxyethyl)pyrrole-2,5-dione?
The canonical SMILES for 3-(3,4-dihydro-2H-quinolin-1-yl)-4-(4-methylphenyl)-1-(2-propan-2-yloxyethyl)pyrrole-2,5-dione is Cc1ccc(C2=C(N3CCCc4ccccc43)C(=O)N(CCOC(C)C)C2=O)cc1.
What is the InChIKey of 3-(3,4-dihydro-2H-quinolin-1-yl)-4-(4-methylphenyl)-1-(2-propan-2-yloxyethyl)pyrrole-2,5-dione?
The InChIKey is NUUKWLYDULUZDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O3/c1-17(2)30-16-15-27-24(28)22(20-12-10-18(3)11-13-20)23(25(27)29)26-14-6-8-19-7-4-5-9-21(19)26/h4-5,7,9-13,17H,6,8,14-16H2,1-3H3.
What are the key properties of 3-(3,4-dihydro-2H-quinolin-1-yl)-4-(4-methylphenyl)-1-(2-propan-2-yloxyethyl)pyrrole-2,5-dione?
3-(3,4-dihydro-2H-quinolin-1-yl)-4-(4-methylphenyl)-1-(2-propan-2-yloxyethyl)pyrrole-2,5-dione has a molecular weight of 404.51 g/mol, XLogP of 3.95, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dihydro-2H-quinolin-1-yl)-4-(4-methylphenyl)-1-(2-propan-2-yloxyethyl)pyrrole-2,5-dione is sourced from PubChem (CID 110572583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).