6-chloro-5'-(5-chloro-2-methoxyphenyl)-2'-methylspiro[1H-indole-3,4'-furo[2,3-c]pyrrole]-2,3',6'-trione

C21H14Cl2N2O5 — CID 134469729

IUPAC6-chloro-5'-(5-chloro-2-methoxyphenyl)-2'-methylspiro[1H-indole-3,4'-furo[2,3-c]pyrrole]-2,3',6'-trione
SMILESCOc1ccc(Cl)cc1N1C(=O)C2=C(C(=O)C(C)O2)C12C(=O)Nc1cc(Cl)ccc12
InChIInChI=1S/C21H14Cl2N2O5/c1-9-17(26)16-18(30-9)19(27)25(14-8-11(23)4-6-15(14)29-2)21(16)12-5-3-10(22)7-13(12)24-20(21)28/h3-9H,1-2H3,(H,24,28)
InChIKeyKIZIEWLBVZSQKX-UHFFFAOYSA-N
MW445.26 g/mol
LogP3.44
Rot. Bonds2

About 6-chloro-5'-(5-chloro-2-methoxyphenyl)-2'-methylspiro[1H-indole-3,4'-furo[2,3-c]pyrrole]-2,3',6'-trione

6-chloro-5'-(5-chloro-2-methoxyphenyl)-2'-methylspiro[1H-indole-3,4'-furo[2,3-c]pyrrole]-2,3',6'-trione (PubChem CID 134469729) has the molecular formula C21H14Cl2N2O5 and a molecular weight of 445.26 g/mol. Its IUPAC name is 6-chloro-5'-(5-chloro-2-methoxyphenyl)-2'-methylspiro[1H-indole-3,4'-furo[2,3-c]pyrrole]-2,3',6'-trione.

Molecular Properties

Compound Name6-chloro-5'-(5-chloro-2-methoxyphenyl)-2'-methylspiro[1H-indole-3,4'-furo[2,3-c]pyrrole]-2,3',6'-trione
PubChem CID134469729
Molecular FormulaC21H14Cl2N2O5
Molecular Weight445.26 g/mol
Exact Mass444.03
IUPAC Name6-chloro-5'-(5-chloro-2-methoxyphenyl)-2'-methylspiro[1H-indole-3,4'-furo[2,3-c]pyrrole]-2,3',6'-trione
SMILESCOc1ccc(Cl)cc1N1C(=O)C2=C(C(=O)C(C)O2)C12C(=O)Nc1cc(Cl)ccc12
InChIInChI=1S/C21H14Cl2N2O5/c1-9-17(26)16-18(30-9)19(27)25(14-8-11(23)4-6-15(14)29-2)21(16)12-5-3-10(22)7-13(12)24-20(21)28/h3-9H,1-2H3,(H,24,28)
InChIKeyKIZIEWLBVZSQKX-UHFFFAOYSA-N
XLogP3.44
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.26
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-5'-(5-chloro-2-methoxyphenyl)-2'-methylspiro[1H-indole-3,4'-furo[2,3-c]pyrrole]-2,3',6'-trione?
The IUPAC name of 6-chloro-5'-(5-chloro-2-methoxyphenyl)-2'-methylspiro[1H-indole-3,4'-furo[2,3-c]pyrrole]-2,3',6'-trione (CID 134469729) is 6-chloro-5'-(5-chloro-2-methoxyphenyl)-2'-methylspiro[1H-indole-3,4'-furo[2,3-c]pyrrole]-2,3',6'-trione.
What is the SMILES notation for 6-chloro-5'-(5-chloro-2-methoxyphenyl)-2'-methylspiro[1H-indole-3,4'-furo[2,3-c]pyrrole]-2,3',6'-trione?
The canonical SMILES for 6-chloro-5'-(5-chloro-2-methoxyphenyl)-2'-methylspiro[1H-indole-3,4'-furo[2,3-c]pyrrole]-2,3',6'-trione is COc1ccc(Cl)cc1N1C(=O)C2=C(C(=O)C(C)O2)C12C(=O)Nc1cc(Cl)ccc12.
What is the InChIKey of 6-chloro-5'-(5-chloro-2-methoxyphenyl)-2'-methylspiro[1H-indole-3,4'-furo[2,3-c]pyrrole]-2,3',6'-trione?
The InChIKey is KIZIEWLBVZSQKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14Cl2N2O5/c1-9-17(26)16-18(30-9)19(27)25(14-8-11(23)4-6-15(14)29-2)21(16)12-5-3-10(22)7-13(12)24-20(21)28/h3-9H,1-2H3,(H,24,28).
What are the key properties of 6-chloro-5'-(5-chloro-2-methoxyphenyl)-2'-methylspiro[1H-indole-3,4'-furo[2,3-c]pyrrole]-2,3',6'-trione?
6-chloro-5'-(5-chloro-2-methoxyphenyl)-2'-methylspiro[1H-indole-3,4'-furo[2,3-c]pyrrole]-2,3',6'-trione has a molecular weight of 445.26 g/mol, XLogP of 3.44, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5'-(5-chloro-2-methoxyphenyl)-2'-methylspiro[1H-indole-3,4'-furo[2,3-c]pyrrole]-2,3',6'-trione is sourced from PubChem (CID 134469729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).