3-(6-chloro-1-ethylindol-3-yl)-4-(6-chloro-1H-indol-3-yl)-1-methylpyrrole-2,5-dione

C23H17Cl2N3O2 — CID 137393227

IUPAC3-(6-chloro-1-ethylindol-3-yl)-4-(6-chloro-1H-indol-3-yl)-1-methylpyrrole-2,5-dione
SMILESCCn1cc(C2=C(c3c[nH]c4cc(Cl)ccc34)C(=O)N(C)C2=O)c2ccc(Cl)cc21
InChIInChI=1S/C23H17Cl2N3O2/c1-3-28-11-17(15-7-5-13(25)9-19(15)28)21-20(22(29)27(2)23(21)30)16-10-26-18-8-12(24)4-6-14(16)18/h4-11,26H,3H2,1-2H3
InChIKeyKAPHDSMFPAJVSY-UHFFFAOYSA-N
MW438.31 g/mol
LogP5.36
Rot. Bonds3

About 3-(6-chloro-1-ethylindol-3-yl)-4-(6-chloro-1H-indol-3-yl)-1-methylpyrrole-2,5-dione

3-(6-chloro-1-ethylindol-3-yl)-4-(6-chloro-1H-indol-3-yl)-1-methylpyrrole-2,5-dione (PubChem CID 137393227) has the molecular formula C23H17Cl2N3O2 and a molecular weight of 438.31 g/mol. Its IUPAC name is 3-(6-chloro-1-ethylindol-3-yl)-4-(6-chloro-1H-indol-3-yl)-1-methylpyrrole-2,5-dione.

Molecular Properties

Compound Name3-(6-chloro-1-ethylindol-3-yl)-4-(6-chloro-1H-indol-3-yl)-1-methylpyrrole-2,5-dione
PubChem CID137393227
Molecular FormulaC23H17Cl2N3O2
Molecular Weight438.31 g/mol
Exact Mass437.07
IUPAC Name3-(6-chloro-1-ethylindol-3-yl)-4-(6-chloro-1H-indol-3-yl)-1-methylpyrrole-2,5-dione
SMILESCCn1cc(C2=C(c3c[nH]c4cc(Cl)ccc34)C(=O)N(C)C2=O)c2ccc(Cl)cc21
InChIInChI=1S/C23H17Cl2N3O2/c1-3-28-11-17(15-7-5-13(25)9-19(15)28)21-20(22(29)27(2)23(21)30)16-10-26-18-8-12(24)4-6-14(16)18/h4-11,26H,3H2,1-2H3
InChIKeyKAPHDSMFPAJVSY-UHFFFAOYSA-N
XLogP5.36
TPSA58.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.31
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(6-chloro-1H-indol-3-yl)-4-(1-ethylindol-3-yl)-1-(hydroxymethyl)pyrrole-2,5-dione
CID 175183271
3-(6-bromo-1-ethylindol-3-yl)-4-(6-bromo-1H-indol-3-yl)furan-2,5-dione
CID 174816686
3-(1H-indol-3-yl)-1-methyl-4-[1-(2-phenylethyl)indol-3-yl]pyrrole-2,5-dione
CID 148910370
3,4-bis(1H-indol-3-yl)-1-methylpyrrole-2,5-dione
CID 2400
3-(1-ethylindol-3-yl)-4-(6-prop-2-enyl-1H-indol-3-yl)pyrrole-2,5-dione
CID 137393254
3-(1H-indol-3-yl)-1-methyl-4-[1-(2-trimethylsilylethoxymethyl)indol-3-yl]pyrrole-2,5-dione
CID 25215540
3,4-bis[1-(2-chloroethyl)indol-3-yl]-1-methylpyrrole-2,5-dione
CID 23529129
3-(7-bromo-1-ethylindol-3-yl)-4-(7-bromo-1H-indol-3-yl)-1-methylpyrrole-2,5-dione
CID 137393230
2-[2-[3-[4-(1H-indol-3-yl)-1-methyl-2,5-dioxopyrrol-3-yl]indol-1-yl]ethoxy]ethyl acetate
CID 102019849
3-(6-chloro-1H-indol-3-yl)-4-(5-methoxy-1H-indol-3-yl)pyrrole-2,5-dione
CID 22308775
3-[3-(6-methoxy-1H-indol-3-yl)-4-(1-methylindol-3-yl)-2,5-dioxopyrrol-1-yl]propanenitrile
CID 23221069
3-[1-[2-(dimethylamino)ethyl]-6-(trifluoromethyl)indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione
CID 22409890

Frequently Asked Questions

What is the IUPAC name of 3-(6-chloro-1-ethylindol-3-yl)-4-(6-chloro-1H-indol-3-yl)-1-methylpyrrole-2,5-dione?
The IUPAC name of 3-(6-chloro-1-ethylindol-3-yl)-4-(6-chloro-1H-indol-3-yl)-1-methylpyrrole-2,5-dione (CID 137393227) is 3-(6-chloro-1-ethylindol-3-yl)-4-(6-chloro-1H-indol-3-yl)-1-methylpyrrole-2,5-dione.
What is the SMILES notation for 3-(6-chloro-1-ethylindol-3-yl)-4-(6-chloro-1H-indol-3-yl)-1-methylpyrrole-2,5-dione?
The canonical SMILES for 3-(6-chloro-1-ethylindol-3-yl)-4-(6-chloro-1H-indol-3-yl)-1-methylpyrrole-2,5-dione is CCn1cc(C2=C(c3c[nH]c4cc(Cl)ccc34)C(=O)N(C)C2=O)c2ccc(Cl)cc21.
What is the InChIKey of 3-(6-chloro-1-ethylindol-3-yl)-4-(6-chloro-1H-indol-3-yl)-1-methylpyrrole-2,5-dione?
The InChIKey is KAPHDSMFPAJVSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17Cl2N3O2/c1-3-28-11-17(15-7-5-13(25)9-19(15)28)21-20(22(29)27(2)23(21)30)16-10-26-18-8-12(24)4-6-14(16)18/h4-11,26H,3H2,1-2H3.
What are the key properties of 3-(6-chloro-1-ethylindol-3-yl)-4-(6-chloro-1H-indol-3-yl)-1-methylpyrrole-2,5-dione?
3-(6-chloro-1-ethylindol-3-yl)-4-(6-chloro-1H-indol-3-yl)-1-methylpyrrole-2,5-dione has a molecular weight of 438.31 g/mol, XLogP of 5.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-chloro-1-ethylindol-3-yl)-4-(6-chloro-1H-indol-3-yl)-1-methylpyrrole-2,5-dione is sourced from PubChem (CID 137393227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).