3-(3,4-dihydro-2H-quinolin-1-yl)-1-(2-methylpropyl)-4-(4-nitrophenyl)pyrrole-2,5-dione

C23H23N3O4 — CID 110541724

IUPAC3-(3,4-dihydro-2H-quinolin-1-yl)-1-(2-methylpropyl)-4-(4-nitrophenyl)pyrrole-2,5-dione
SMILESCC(C)CN1C(=O)C(c2ccc([N+](=O)[O-])cc2)=C(N2CCCc3ccccc32)C1=O
InChIInChI=1S/C23H23N3O4/c1-15(2)14-25-22(27)20(17-9-11-18(12-10-17)26(29)30)21(23(25)28)24-13-5-7-16-6-3-4-8-19(16)24/h3-4,6,8-12,15H,5,7,13-14H2,1-2H3
InChIKeyZJZVBRRWSPHKLR-UHFFFAOYSA-N
MW405.45 g/mol
LogP3.78
Rot. Bonds5

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

3-(3,4-dihydro-2H-quinolin-1-yl)-1-(2-methylpropyl)-4-(4-nitrophenyl)pyrrole-2,5-dione (PubChem CID 110541724) has the molecular formula C23H23N3O4 and a molecular weight of 405.45 g/mol. Its IUPAC name is 3-(3,4-dihydro-2H-quinolin-1-yl)-1-(2-methylpropyl)-4-(4-nitrophenyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-(3,4-dihydro-2H-quinolin-1-yl)-1-(2-methylpropyl)-4-(4-nitrophenyl)pyrrole-2,5-dione
PubChem CID110541724
Molecular FormulaC23H23N3O4
Molecular Weight405.45 g/mol
Exact Mass405.17
IUPAC Name3-(3,4-dihydro-2H-quinolin-1-yl)-1-(2-methylpropyl)-4-(4-nitrophenyl)pyrrole-2,5-dione
SMILESCC(C)CN1C(=O)C(c2ccc([N+](=O)[O-])cc2)=C(N2CCCc3ccccc32)C1=O
InChIInChI=1S/C23H23N3O4/c1-15(2)14-25-22(27)20(17-9-11-18(12-10-17)26(29)30)21(23(25)28)24-13-5-7-16-6-3-4-8-19(16)24/h3-4,6,8-12,15H,5,7,13-14H2,1-2H3
InChIKeyZJZVBRRWSPHKLR-UHFFFAOYSA-N
XLogP3.78
TPSA83.76 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.45
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 3-(3,4-dihydro-2H-quinolin-1-yl)-1-(2-methylpropyl)-4-(4-nitrophenyl)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-(3,4-dihydro-2H-quinolin-1-yl)-4-(4-nitrophenyl)-1-propylpyrrole-2,5-dione
CID 110541325
3-(3,4-dihydro-2H-quinolin-1-yl)-4-(4-nitrophenyl)-1-(2-phenylethyl)pyrrole-2,5-dione
CID 110540932
3-(2,3-dihydroindol-1-yl)-4-(4-nitrophenyl)-1-propan-2-ylpyrrole-2,5-dione
CID 110541948
3-(3,4-dihydro-2H-quinolin-1-yl)-4-(2-methoxyphenyl)-1-(2-methylpropyl)pyrrole-2,5-dione
CID 110566300
3-(2,3-dihydroindol-1-yl)-4-(4-nitrophenyl)-1-(pyridin-4-ylmethyl)pyrrole-2,5-dione
CID 110541189
3-(2,3-dihydroindol-1-yl)-1-(2-morpholin-4-ylethyl)-4-(4-nitrophenyl)pyrrole-2,5-dione
CID 110541872
N-[4-[4-(2,3-dihydroindol-1-yl)-1-(2-methylpropyl)-2,5-dioxopyrrol-3-yl]phenyl]acetamide
CID 110562986
3-(2,3-dihydroindol-1-yl)-1-(furan-2-ylmethyl)-4-(4-nitrophenyl)pyrrole-2,5-dione
CID 110541099
1-cyclooctyl-3-(2,3-dihydroindol-1-yl)-4-(4-nitrophenyl)pyrrole-2,5-dione
CID 110541557
3-(3,4-dihydro-2H-quinolin-1-yl)-1-ethyl-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione
CID 110575216
1-cycloheptyl-3-(2,3-dihydroindol-1-yl)-4-(4-nitrophenyl)pyrrole-2,5-dione
CID 110541532
3-(3,4-dihydro-2H-quinolin-1-yl)-1-ethyl-4-(4-fluorophenyl)pyrrole-2,5-dione
CID 110543774

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dihydro-2H-quinolin-1-yl)-1-(2-methylpropyl)-4-(4-nitrophenyl)pyrrole-2,5-dione?
The IUPAC name of 3-(3,4-dihydro-2H-quinolin-1-yl)-1-(2-methylpropyl)-4-(4-nitrophenyl)pyrrole-2,5-dione (CID 110541724) is 3-(3,4-dihydro-2H-quinolin-1-yl)-1-(2-methylpropyl)-4-(4-nitrophenyl)pyrrole-2,5-dione.
What is the SMILES notation for 3-(3,4-dihydro-2H-quinolin-1-yl)-1-(2-methylpropyl)-4-(4-nitrophenyl)pyrrole-2,5-dione?
The canonical SMILES for 3-(3,4-dihydro-2H-quinolin-1-yl)-1-(2-methylpropyl)-4-(4-nitrophenyl)pyrrole-2,5-dione is CC(C)CN1C(=O)C(c2ccc([N+](=O)[O-])cc2)=C(N2CCCc3ccccc32)C1=O.
What is the InChIKey of 3-(3,4-dihydro-2H-quinolin-1-yl)-1-(2-methylpropyl)-4-(4-nitrophenyl)pyrrole-2,5-dione?
The InChIKey is ZJZVBRRWSPHKLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O4/c1-15(2)14-25-22(27)20(17-9-11-18(12-10-17)26(29)30)21(23(25)28)24-13-5-7-16-6-3-4-8-19(16)24/h3-4,6,8-12,15H,5,7,13-14H2,1-2H3.
What are the key properties of 3-(3,4-dihydro-2H-quinolin-1-yl)-1-(2-methylpropyl)-4-(4-nitrophenyl)pyrrole-2,5-dione?
3-(3,4-dihydro-2H-quinolin-1-yl)-1-(2-methylpropyl)-4-(4-nitrophenyl)pyrrole-2,5-dione has a molecular weight of 405.45 g/mol, XLogP of 3.78, 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-(2-methylpropyl)-4-(4-nitrophenyl)pyrrole-2,5-dione is sourced from PubChem (CID 110541724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).