[2-(1H-indole-2-carbonyl)-1H-indol-5-yl] furan-2-carboxylate

C22H14N2O4 — CID 5330561

IUPAC[2-(1H-indole-2-carbonyl)-1H-indol-5-yl] furan-2-carboxylate
SMILESO=C(c1cc2ccccc2[nH]1)c1cc2cc(OC(=O)c3ccco3)ccc2[nH]1
InChIInChI=1S/C22H14N2O4/c25-21(18-11-13-4-1-2-5-16(13)23-18)19-12-14-10-15(7-8-17(14)24-19)28-22(26)20-6-3-9-27-20/h1-12,23-24H
InChIKeyNRUDNDJQDIIWLQ-UHFFFAOYSA-N
MW370.36 g/mol
LogP4.69
Rot. Bonds4

About [2-(1H-indole-2-carbonyl)-1H-indol-5-yl] furan-2-carboxylate

[2-(1H-indole-2-carbonyl)-1H-indol-5-yl] furan-2-carboxylate (PubChem CID 5330561) has the molecular formula C22H14N2O4 and a molecular weight of 370.36 g/mol. Its IUPAC name is [2-(1H-indole-2-carbonyl)-1H-indol-5-yl] furan-2-carboxylate.

Molecular Properties

Compound Name[2-(1H-indole-2-carbonyl)-1H-indol-5-yl] furan-2-carboxylate
PubChem CID5330561
Molecular FormulaC22H14N2O4
Molecular Weight370.36 g/mol
Exact Mass370.10
IUPAC Name[2-(1H-indole-2-carbonyl)-1H-indol-5-yl] furan-2-carboxylate
SMILESO=C(c1cc2ccccc2[nH]1)c1cc2cc(OC(=O)c3ccco3)ccc2[nH]1
InChIInChI=1S/C22H14N2O4/c25-21(18-11-13-4-1-2-5-16(13)23-18)19-12-14-10-15(7-8-17(14)24-19)28-22(26)20-6-3-9-27-20/h1-12,23-24H
InChIKeyNRUDNDJQDIIWLQ-UHFFFAOYSA-N
XLogP4.69
TPSA88.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.36
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-(1H-indole-2-carbonyl)-1H-indol-5-yl] furan-2-carboxylate?
The IUPAC name of [2-(1H-indole-2-carbonyl)-1H-indol-5-yl] furan-2-carboxylate (CID 5330561) is [2-(1H-indole-2-carbonyl)-1H-indol-5-yl] furan-2-carboxylate.
What is the SMILES notation for [2-(1H-indole-2-carbonyl)-1H-indol-5-yl] furan-2-carboxylate?
The canonical SMILES for [2-(1H-indole-2-carbonyl)-1H-indol-5-yl] furan-2-carboxylate is O=C(c1cc2ccccc2[nH]1)c1cc2cc(OC(=O)c3ccco3)ccc2[nH]1.
What is the InChIKey of [2-(1H-indole-2-carbonyl)-1H-indol-5-yl] furan-2-carboxylate?
The InChIKey is NRUDNDJQDIIWLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14N2O4/c25-21(18-11-13-4-1-2-5-16(13)23-18)19-12-14-10-15(7-8-17(14)24-19)28-22(26)20-6-3-9-27-20/h1-12,23-24H.
What are the key properties of [2-(1H-indole-2-carbonyl)-1H-indol-5-yl] furan-2-carboxylate?
[2-(1H-indole-2-carbonyl)-1H-indol-5-yl] furan-2-carboxylate has a molecular weight of 370.36 g/mol, XLogP of 4.69, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1H-indole-2-carbonyl)-1H-indol-5-yl] furan-2-carboxylate is sourced from PubChem (CID 5330561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).