(3Z)-6-(4-hydroxy-3-methoxyphenyl)-3-(1H-indol-3-ylmethylidene)-1H-indol-2-one

C24H18N2O3 — CID 10309409

IUPAC(3Z)-6-(4-hydroxy-3-methoxyphenyl)-3-(1H-indol-3-ylmethylidene)-1H-indol-2-one
SMILESCOc1cc(-c2ccc3c(c2)NC(=O)/C3=C\c2c[nH]c3ccccc23)ccc1O
InChIInChI=1S/C24H18N2O3/c1-29-23-12-15(7-9-22(23)27)14-6-8-18-19(24(28)26-21(18)11-14)10-16-13-25-20-5-3-2-4-17(16)20/h2-13,25,27H,1H3,(H,26,28)/b19-10-
InChIKeyGQZVPDFXYAEMGD-GRSHGNNSSA-N
MW382.42 g/mol
LogP5.04
Rot. Bonds3

About (3Z)-6-(4-hydroxy-3-methoxyphenyl)-3-(1H-indol-3-ylmethylidene)-1H-indol-2-one

(3Z)-6-(4-hydroxy-3-methoxyphenyl)-3-(1H-indol-3-ylmethylidene)-1H-indol-2-one (PubChem CID 10309409) has the molecular formula C24H18N2O3 and a molecular weight of 382.42 g/mol. Its IUPAC name is (3Z)-6-(4-hydroxy-3-methoxyphenyl)-3-(1H-indol-3-ylmethylidene)-1H-indol-2-one.

Molecular Properties

Compound Name(3Z)-6-(4-hydroxy-3-methoxyphenyl)-3-(1H-indol-3-ylmethylidene)-1H-indol-2-one
PubChem CID10309409
Molecular FormulaC24H18N2O3
Molecular Weight382.42 g/mol
Exact Mass382.13
IUPAC Name(3Z)-6-(4-hydroxy-3-methoxyphenyl)-3-(1H-indol-3-ylmethylidene)-1H-indol-2-one
SMILESCOc1cc(-c2ccc3c(c2)NC(=O)/C3=C\c2c[nH]c3ccccc23)ccc1O
InChIInChI=1S/C24H18N2O3/c1-29-23-12-15(7-9-22(23)27)14-6-8-18-19(24(28)26-21(18)11-14)10-16-13-25-20-5-3-2-4-17(16)20/h2-13,25,27H,1H3,(H,26,28)/b19-10-
InChIKeyGQZVPDFXYAEMGD-GRSHGNNSSA-N
XLogP5.04
TPSA74.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.42
LogP ≤ 55.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_het_L(4)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3Z)-6-(4-hydroxy-3-methoxyphenyl)-3-(1H-indol-3-ylmethylidene)-1H-indol-2-one?
The IUPAC name of (3Z)-6-(4-hydroxy-3-methoxyphenyl)-3-(1H-indol-3-ylmethylidene)-1H-indol-2-one (CID 10309409) is (3Z)-6-(4-hydroxy-3-methoxyphenyl)-3-(1H-indol-3-ylmethylidene)-1H-indol-2-one.
What is the SMILES notation for (3Z)-6-(4-hydroxy-3-methoxyphenyl)-3-(1H-indol-3-ylmethylidene)-1H-indol-2-one?
The canonical SMILES for (3Z)-6-(4-hydroxy-3-methoxyphenyl)-3-(1H-indol-3-ylmethylidene)-1H-indol-2-one is COc1cc(-c2ccc3c(c2)NC(=O)/C3=C\c2c[nH]c3ccccc23)ccc1O.
What is the InChIKey of (3Z)-6-(4-hydroxy-3-methoxyphenyl)-3-(1H-indol-3-ylmethylidene)-1H-indol-2-one?
The InChIKey is GQZVPDFXYAEMGD-GRSHGNNSSA-N. The full InChI is InChI=1S/C24H18N2O3/c1-29-23-12-15(7-9-22(23)27)14-6-8-18-19(24(28)26-21(18)11-14)10-16-13-25-20-5-3-2-4-17(16)20/h2-13,25,27H,1H3,(H,26,28)/b19-10-.
What are the key properties of (3Z)-6-(4-hydroxy-3-methoxyphenyl)-3-(1H-indol-3-ylmethylidene)-1H-indol-2-one?
(3Z)-6-(4-hydroxy-3-methoxyphenyl)-3-(1H-indol-3-ylmethylidene)-1H-indol-2-one has a molecular weight of 382.42 g/mol, XLogP of 5.04, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-6-(4-hydroxy-3-methoxyphenyl)-3-(1H-indol-3-ylmethylidene)-1H-indol-2-one is sourced from PubChem (CID 10309409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).