5-chloro-3,3-bis(5-methoxy-1H-indol-3-yl)-1H-indol-2-one

C26H20ClN3O3 — CID 122225740

IUPAC5-chloro-3,3-bis(5-methoxy-1H-indol-3-yl)-1H-indol-2-one
SMILESCOc1ccc2[nH]cc(C3(c4c[nH]c5ccc(OC)cc45)C(=O)Nc4ccc(Cl)cc43)c2c1
InChIInChI=1S/C26H20ClN3O3/c1-32-15-4-7-22-17(10-15)20(12-28-22)26(19-9-14(27)3-6-24(19)30-25(26)31)21-13-29-23-8-5-16(33-2)11-18(21)23/h3-13,28-29H,1-2H3,(H,30,31)
InChIKeyKEWHQPSNRGTTJC-UHFFFAOYSA-N
MW457.92 g/mol
LogP5.61
Rot. Bonds4

About 5-chloro-3,3-bis(5-methoxy-1H-indol-3-yl)-1H-indol-2-one

5-chloro-3,3-bis(5-methoxy-1H-indol-3-yl)-1H-indol-2-one (PubChem CID 122225740) has the molecular formula C26H20ClN3O3 and a molecular weight of 457.92 g/mol. Its IUPAC name is 5-chloro-3,3-bis(5-methoxy-1H-indol-3-yl)-1H-indol-2-one.

Molecular Properties

Compound Name5-chloro-3,3-bis(5-methoxy-1H-indol-3-yl)-1H-indol-2-one
PubChem CID122225740
Molecular FormulaC26H20ClN3O3
Molecular Weight457.92 g/mol
Exact Mass457.12
IUPAC Name5-chloro-3,3-bis(5-methoxy-1H-indol-3-yl)-1H-indol-2-one
SMILESCOc1ccc2[nH]cc(C3(c4c[nH]c5ccc(OC)cc45)C(=O)Nc4ccc(Cl)cc43)c2c1
InChIInChI=1S/C26H20ClN3O3/c1-32-15-4-7-22-17(10-15)20(12-28-22)26(19-9-14(27)3-6-24(19)30-25(26)31)21-13-29-23-8-5-16(33-2)11-18(21)23/h3-13,28-29H,1-2H3,(H,30,31)
InChIKeyKEWHQPSNRGTTJC-UHFFFAOYSA-N
XLogP5.61
TPSA79.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.92
LogP ≤ 55.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3,3-bis(5-methoxy-1H-indol-3-yl)-1H-indol-2-one?
The IUPAC name of 5-chloro-3,3-bis(5-methoxy-1H-indol-3-yl)-1H-indol-2-one (CID 122225740) is 5-chloro-3,3-bis(5-methoxy-1H-indol-3-yl)-1H-indol-2-one.
What is the SMILES notation for 5-chloro-3,3-bis(5-methoxy-1H-indol-3-yl)-1H-indol-2-one?
The canonical SMILES for 5-chloro-3,3-bis(5-methoxy-1H-indol-3-yl)-1H-indol-2-one is COc1ccc2[nH]cc(C3(c4c[nH]c5ccc(OC)cc45)C(=O)Nc4ccc(Cl)cc43)c2c1.
What is the InChIKey of 5-chloro-3,3-bis(5-methoxy-1H-indol-3-yl)-1H-indol-2-one?
The InChIKey is KEWHQPSNRGTTJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20ClN3O3/c1-32-15-4-7-22-17(10-15)20(12-28-22)26(19-9-14(27)3-6-24(19)30-25(26)31)21-13-29-23-8-5-16(33-2)11-18(21)23/h3-13,28-29H,1-2H3,(H,30,31).
What are the key properties of 5-chloro-3,3-bis(5-methoxy-1H-indol-3-yl)-1H-indol-2-one?
5-chloro-3,3-bis(5-methoxy-1H-indol-3-yl)-1H-indol-2-one has a molecular weight of 457.92 g/mol, XLogP of 5.61, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3,3-bis(5-methoxy-1H-indol-3-yl)-1H-indol-2-one is sourced from PubChem (CID 122225740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).