3-(4-chlorophenyl)-1-cyclohexyl-4-(3,4-dihydro-2H-quinolin-1-yl)pyrrole-2,5-dione

C25H25ClN2O2 — CID 110569799

IUPAC3-(4-chlorophenyl)-1-cyclohexyl-4-(3,4-dihydro-2H-quinolin-1-yl)pyrrole-2,5-dione
SMILESO=C1C(c2ccc(Cl)cc2)=C(N2CCCc3ccccc32)C(=O)N1C1CCCCC1
InChIInChI=1S/C25H25ClN2O2/c26-19-14-12-18(13-15-19)22-23(27-16-6-8-17-7-4-5-11-21(17)27)25(30)28(24(22)29)20-9-2-1-3-10-20/h4-5,7,11-15,20H,1-3,6,8-10,16H2
InChIKeyQMFIMSDNCNUSEN-UHFFFAOYSA-N
MW420.94 g/mol
LogP5.21
Rot. Bonds3

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

3-(4-chlorophenyl)-1-cyclohexyl-4-(3,4-dihydro-2H-quinolin-1-yl)pyrrole-2,5-dione (PubChem CID 110569799) has the molecular formula C25H25ClN2O2 and a molecular weight of 420.94 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-1-cyclohexyl-4-(3,4-dihydro-2H-quinolin-1-yl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-(4-chlorophenyl)-1-cyclohexyl-4-(3,4-dihydro-2H-quinolin-1-yl)pyrrole-2,5-dione
PubChem CID110569799
Molecular FormulaC25H25ClN2O2
Molecular Weight420.94 g/mol
Exact Mass420.16
IUPAC Name3-(4-chlorophenyl)-1-cyclohexyl-4-(3,4-dihydro-2H-quinolin-1-yl)pyrrole-2,5-dione
SMILESO=C1C(c2ccc(Cl)cc2)=C(N2CCCc3ccccc32)C(=O)N1C1CCCCC1
InChIInChI=1S/C25H25ClN2O2/c26-19-14-12-18(13-15-19)22-23(27-16-6-8-17-7-4-5-11-21(17)27)25(30)28(24(22)29)20-9-2-1-3-10-20/h4-5,7,11-15,20H,1-3,6,8-10,16H2
InChIKeyQMFIMSDNCNUSEN-UHFFFAOYSA-N
XLogP5.21
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.94
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-cycloheptyl-3-(2,3-dihydroindol-1-yl)-4-(4-fluorophenyl)pyrrole-2,5-dione
CID 110543980
1-cyclooctyl-3-(2,3-dihydroindol-1-yl)-4-(4-methoxyphenyl)pyrrole-2,5-dione
CID 110556549
1-cyclooctyl-3-(2,3-dihydroindol-1-yl)-4-(4-nitrophenyl)pyrrole-2,5-dione
CID 110541557
1-cycloheptyl-3-(2,3-dihydroindol-1-yl)-4-(4-nitrophenyl)pyrrole-2,5-dione
CID 110541532
1-cyclohexyl-3-(3,4-dihydro-2H-quinolin-1-yl)-4-thiophen-2-ylpyrrole-2,5-dione
CID 110553150
3-(4-chlorophenyl)-1-cyclohexyl-4-piperidin-1-ylpyrrole-2,5-dione
CID 110569779
1-(4-chlorophenyl)-3-(3,4-dihydro-2H-quinolin-1-yl)-4-(3,4-dimethylphenyl)pyrrole-2,5-dione
CID 110550216
3-(3,4-dihydro-2H-quinolin-1-yl)-4-(4-methylphenyl)-1-phenylpyrrole-2,5-dione
CID 110573925
3-(4-chlorophenyl)-1-cyclohexyl-4-morpholin-4-ylpyrrole-2,5-dione
CID 110569785
1-(3-chloro-4-fluorophenyl)-3-(3,4-dihydro-2H-quinolin-1-yl)-4-(4-fluorophenyl)pyrrole-2,5-dione
CID 110545150
3-(4-chlorophenyl)-1-cycloheptyl-4-(4-ethylpiperazin-1-yl)pyrrole-2,5-dione
CID 110569820
3-(4-chlorophenyl)-1-cyclohexyl-4-(3-methylpiperidin-1-yl)pyrrole-2,5-dione
CID 110569781

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-1-cyclohexyl-4-(3,4-dihydro-2H-quinolin-1-yl)pyrrole-2,5-dione?
The IUPAC name of 3-(4-chlorophenyl)-1-cyclohexyl-4-(3,4-dihydro-2H-quinolin-1-yl)pyrrole-2,5-dione (CID 110569799) is 3-(4-chlorophenyl)-1-cyclohexyl-4-(3,4-dihydro-2H-quinolin-1-yl)pyrrole-2,5-dione.
What is the SMILES notation for 3-(4-chlorophenyl)-1-cyclohexyl-4-(3,4-dihydro-2H-quinolin-1-yl)pyrrole-2,5-dione?
The canonical SMILES for 3-(4-chlorophenyl)-1-cyclohexyl-4-(3,4-dihydro-2H-quinolin-1-yl)pyrrole-2,5-dione is O=C1C(c2ccc(Cl)cc2)=C(N2CCCc3ccccc32)C(=O)N1C1CCCCC1.
What is the InChIKey of 3-(4-chlorophenyl)-1-cyclohexyl-4-(3,4-dihydro-2H-quinolin-1-yl)pyrrole-2,5-dione?
The InChIKey is QMFIMSDNCNUSEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25ClN2O2/c26-19-14-12-18(13-15-19)22-23(27-16-6-8-17-7-4-5-11-21(17)27)25(30)28(24(22)29)20-9-2-1-3-10-20/h4-5,7,11-15,20H,1-3,6,8-10,16H2.
What are the key properties of 3-(4-chlorophenyl)-1-cyclohexyl-4-(3,4-dihydro-2H-quinolin-1-yl)pyrrole-2,5-dione?
3-(4-chlorophenyl)-1-cyclohexyl-4-(3,4-dihydro-2H-quinolin-1-yl)pyrrole-2,5-dione has a molecular weight of 420.94 g/mol, XLogP of 5.21, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-1-cyclohexyl-4-(3,4-dihydro-2H-quinolin-1-yl)pyrrole-2,5-dione is sourced from PubChem (CID 110569799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).