1'-[2-(dimethylamino)ethyl]-3'-hydroxy-1-methyl-4'-(5-methylfuran-2-carbonyl)spiro[indole-3,5'-pyrrole]-2,2'-dione

C22H23N3O5 — CID 4269685

IUPAC1'-[2-(dimethylamino)ethyl]-3'-hydroxy-1-methyl-4'-(5-methylfuran-2-carbonyl)spiro[indole-3,5'-pyrrole]-2,2'-dione
SMILESCc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)C23C(=O)N(C)c2ccccc23)o1
InChIInChI=1S/C22H23N3O5/c1-13-9-10-16(30-13)18(26)17-19(27)20(28)25(12-11-23(2)3)22(17)14-7-5-6-8-15(14)24(4)21(22)29/h5-10,27H,11-12H2,1-4H3
InChIKeyQJIGUCNCTCVNNI-UHFFFAOYSA-N
MW409.44 g/mol
LogP1.86
Rot. Bonds5

About 1'-[2-(dimethylamino)ethyl]-3'-hydroxy-1-methyl-4'-(5-methylfuran-2-carbonyl)spiro[indole-3,5'-pyrrole]-2,2'-dione

1'-[2-(dimethylamino)ethyl]-3'-hydroxy-1-methyl-4'-(5-methylfuran-2-carbonyl)spiro[indole-3,5'-pyrrole]-2,2'-dione (PubChem CID 4269685) has the molecular formula C22H23N3O5 and a molecular weight of 409.44 g/mol. Its IUPAC name is 1'-[2-(dimethylamino)ethyl]-3'-hydroxy-1-methyl-4'-(5-methylfuran-2-carbonyl)spiro[indole-3,5'-pyrrole]-2,2'-dione.

Molecular Properties

Compound Name1'-[2-(dimethylamino)ethyl]-3'-hydroxy-1-methyl-4'-(5-methylfuran-2-carbonyl)spiro[indole-3,5'-pyrrole]-2,2'-dione
PubChem CID4269685
Molecular FormulaC22H23N3O5
Molecular Weight409.44 g/mol
Exact Mass409.16
IUPAC Name1'-[2-(dimethylamino)ethyl]-3'-hydroxy-1-methyl-4'-(5-methylfuran-2-carbonyl)spiro[indole-3,5'-pyrrole]-2,2'-dione
SMILESCc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)C23C(=O)N(C)c2ccccc23)o1
InChIInChI=1S/C22H23N3O5/c1-13-9-10-16(30-13)18(26)17-19(27)20(28)25(12-11-23(2)3)22(17)14-7-5-6-8-15(14)24(4)21(22)29/h5-10,27H,11-12H2,1-4H3
InChIKeyQJIGUCNCTCVNNI-UHFFFAOYSA-N
XLogP1.86
TPSA94.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.44
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1'-[2-(dimethylamino)ethyl]-3'-hydroxy-1-methyl-4'-(5-methylfuran-2-carbonyl)spiro[indole-3,5'-pyrrole]-2,2'-dione?
The IUPAC name of 1'-[2-(dimethylamino)ethyl]-3'-hydroxy-1-methyl-4'-(5-methylfuran-2-carbonyl)spiro[indole-3,5'-pyrrole]-2,2'-dione (CID 4269685) is 1'-[2-(dimethylamino)ethyl]-3'-hydroxy-1-methyl-4'-(5-methylfuran-2-carbonyl)spiro[indole-3,5'-pyrrole]-2,2'-dione.
What is the SMILES notation for 1'-[2-(dimethylamino)ethyl]-3'-hydroxy-1-methyl-4'-(5-methylfuran-2-carbonyl)spiro[indole-3,5'-pyrrole]-2,2'-dione?
The canonical SMILES for 1'-[2-(dimethylamino)ethyl]-3'-hydroxy-1-methyl-4'-(5-methylfuran-2-carbonyl)spiro[indole-3,5'-pyrrole]-2,2'-dione is Cc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)C23C(=O)N(C)c2ccccc23)o1.
What is the InChIKey of 1'-[2-(dimethylamino)ethyl]-3'-hydroxy-1-methyl-4'-(5-methylfuran-2-carbonyl)spiro[indole-3,5'-pyrrole]-2,2'-dione?
The InChIKey is QJIGUCNCTCVNNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O5/c1-13-9-10-16(30-13)18(26)17-19(27)20(28)25(12-11-23(2)3)22(17)14-7-5-6-8-15(14)24(4)21(22)29/h5-10,27H,11-12H2,1-4H3.
What are the key properties of 1'-[2-(dimethylamino)ethyl]-3'-hydroxy-1-methyl-4'-(5-methylfuran-2-carbonyl)spiro[indole-3,5'-pyrrole]-2,2'-dione?
1'-[2-(dimethylamino)ethyl]-3'-hydroxy-1-methyl-4'-(5-methylfuran-2-carbonyl)spiro[indole-3,5'-pyrrole]-2,2'-dione has a molecular weight of 409.44 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[2-(dimethylamino)ethyl]-3'-hydroxy-1-methyl-4'-(5-methylfuran-2-carbonyl)spiro[indole-3,5'-pyrrole]-2,2'-dione is sourced from PubChem (CID 4269685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).