3-(2,4-dichlorophenyl)-4-(3,4-dihydro-2H-quinolin-1-yl)-1-(3-ethoxypropyl)pyrrole-2,5-dione

C24H24Cl2N2O3 — CID 110568553

IUPAC3-(2,4-dichlorophenyl)-4-(3,4-dihydro-2H-quinolin-1-yl)-1-(3-ethoxypropyl)pyrrole-2,5-dione
SMILESCCOCCCN1C(=O)C(c2ccc(Cl)cc2Cl)=C(N2CCCc3ccccc32)C1=O
InChIInChI=1S/C24H24Cl2N2O3/c1-2-31-14-6-13-28-23(29)21(18-11-10-17(25)15-19(18)26)22(24(28)30)27-12-5-8-16-7-3-4-9-20(16)27/h3-4,7,9-11,15H,2,5-6,8,12-14H2,1H3
InChIKeyRKNKZDPMCKZGHP-UHFFFAOYSA-N
MW459.37 g/mol
LogP4.95
Rot. Bonds7

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

3-(2,4-dichlorophenyl)-4-(3,4-dihydro-2H-quinolin-1-yl)-1-(3-ethoxypropyl)pyrrole-2,5-dione (PubChem CID 110568553) has the molecular formula C24H24Cl2N2O3 and a molecular weight of 459.37 g/mol. Its IUPAC name is 3-(2,4-dichlorophenyl)-4-(3,4-dihydro-2H-quinolin-1-yl)-1-(3-ethoxypropyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-(2,4-dichlorophenyl)-4-(3,4-dihydro-2H-quinolin-1-yl)-1-(3-ethoxypropyl)pyrrole-2,5-dione
PubChem CID110568553
Molecular FormulaC24H24Cl2N2O3
Molecular Weight459.37 g/mol
Exact Mass458.12
IUPAC Name3-(2,4-dichlorophenyl)-4-(3,4-dihydro-2H-quinolin-1-yl)-1-(3-ethoxypropyl)pyrrole-2,5-dione
SMILESCCOCCCN1C(=O)C(c2ccc(Cl)cc2Cl)=C(N2CCCc3ccccc32)C1=O
InChIInChI=1S/C24H24Cl2N2O3/c1-2-31-14-6-13-28-23(29)21(18-11-10-17(25)15-19(18)26)22(24(28)30)27-12-5-8-16-7-3-4-9-20(16)27/h3-4,7,9-11,15H,2,5-6,8,12-14H2,1H3
InChIKeyRKNKZDPMCKZGHP-UHFFFAOYSA-N
XLogP4.95
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.37
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(2,4-dichlorophenyl)-4-(3,4-dihydro-2H-quinolin-1-yl)-1-propylpyrrole-2,5-dione
CID 110568157
3-(2,3-dihydroindol-1-yl)-4-(4-ethoxyphenyl)-1-(3-ethoxypropyl)pyrrole-2,5-dione
CID 110547121
3-(3,4-dihydro-2H-quinolin-1-yl)-4-(2,4-dimethylphenyl)-1-hexylpyrrole-2,5-dione
CID 110578990
3-(3,4-dihydro-2H-quinolin-1-yl)-1-hexyl-4-(2-methoxyphenyl)pyrrole-2,5-dione
CID 110566334
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-(2-methoxyphenyl)pyrrole-2,5-dione
CID 110566421
1-decyl-3-(3,4-dihydro-2H-quinolin-1-yl)-4-phenylpyrrole-2,5-dione
CID 110560027
1-(3-butoxypropyl)-3-(2,3-dihydroindol-1-yl)-4-(4-methylphenyl)pyrrole-2,5-dione
CID 110573052
3-(2,4-dichlorophenyl)-1-(3-ethoxypropyl)-4-(2-hydroxyethylsulfanyl)pyrrole-2,5-dione
CID 110568563
3-(3,4-dihydro-2H-quinolin-1-yl)-4-(3,4-dimethylphenyl)-1-propylpyrrole-2,5-dione
CID 110548869
3-(2,4-dichlorophenyl)-4-(4-ethylpiperazin-1-yl)-1-(3-methoxypropyl)pyrrole-2,5-dione
CID 110568370
3-(3,4-dihydro-2H-quinolin-1-yl)-4-(2,4-dimethylphenyl)-1-(2-phenylethyl)pyrrole-2,5-dione
CID 110578060

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dichlorophenyl)-4-(3,4-dihydro-2H-quinolin-1-yl)-1-(3-ethoxypropyl)pyrrole-2,5-dione?
The IUPAC name of 3-(2,4-dichlorophenyl)-4-(3,4-dihydro-2H-quinolin-1-yl)-1-(3-ethoxypropyl)pyrrole-2,5-dione (CID 110568553) is 3-(2,4-dichlorophenyl)-4-(3,4-dihydro-2H-quinolin-1-yl)-1-(3-ethoxypropyl)pyrrole-2,5-dione.
What is the SMILES notation for 3-(2,4-dichlorophenyl)-4-(3,4-dihydro-2H-quinolin-1-yl)-1-(3-ethoxypropyl)pyrrole-2,5-dione?
The canonical SMILES for 3-(2,4-dichlorophenyl)-4-(3,4-dihydro-2H-quinolin-1-yl)-1-(3-ethoxypropyl)pyrrole-2,5-dione is CCOCCCN1C(=O)C(c2ccc(Cl)cc2Cl)=C(N2CCCc3ccccc32)C1=O.
What is the InChIKey of 3-(2,4-dichlorophenyl)-4-(3,4-dihydro-2H-quinolin-1-yl)-1-(3-ethoxypropyl)pyrrole-2,5-dione?
The InChIKey is RKNKZDPMCKZGHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24Cl2N2O3/c1-2-31-14-6-13-28-23(29)21(18-11-10-17(25)15-19(18)26)22(24(28)30)27-12-5-8-16-7-3-4-9-20(16)27/h3-4,7,9-11,15H,2,5-6,8,12-14H2,1H3.
What are the key properties of 3-(2,4-dichlorophenyl)-4-(3,4-dihydro-2H-quinolin-1-yl)-1-(3-ethoxypropyl)pyrrole-2,5-dione?
3-(2,4-dichlorophenyl)-4-(3,4-dihydro-2H-quinolin-1-yl)-1-(3-ethoxypropyl)pyrrole-2,5-dione has a molecular weight of 459.37 g/mol, XLogP of 4.95, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dichlorophenyl)-4-(3,4-dihydro-2H-quinolin-1-yl)-1-(3-ethoxypropyl)pyrrole-2,5-dione is sourced from PubChem (CID 110568553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).