2-[di(pyrrol-1-yl)amino]ethyl 1H-indole-2-carboxylate

C19H18N4O2 — CID 57340223

IUPAC2-[di(pyrrol-1-yl)amino]ethyl 1H-indole-2-carboxylate
SMILESO=C(OCCN(n1cccc1)n1cccc1)c1cc2ccccc2[nH]1
InChIInChI=1S/C19H18N4O2/c24-19(18-15-16-7-1-2-8-17(16)20-18)25-14-13-23(21-9-3-4-10-21)22-11-5-6-12-22/h1-12,15,20H,13-14H2
InChIKeyXPZIRGIDQVAFKB-UHFFFAOYSA-N
MW334.38 g/mol
LogP3.03
Rot. Bonds6

About 2-[di(pyrrol-1-yl)amino]ethyl 1H-indole-2-carboxylate

2-[di(pyrrol-1-yl)amino]ethyl 1H-indole-2-carboxylate (PubChem CID 57340223) has the molecular formula C19H18N4O2 and a molecular weight of 334.38 g/mol. Its IUPAC name is 2-[di(pyrrol-1-yl)amino]ethyl 1H-indole-2-carboxylate.

Molecular Properties

Compound Name2-[di(pyrrol-1-yl)amino]ethyl 1H-indole-2-carboxylate
PubChem CID57340223
Molecular FormulaC19H18N4O2
Molecular Weight334.38 g/mol
Exact Mass334.14
IUPAC Name2-[di(pyrrol-1-yl)amino]ethyl 1H-indole-2-carboxylate
SMILESO=C(OCCN(n1cccc1)n1cccc1)c1cc2ccccc2[nH]1
InChIInChI=1S/C19H18N4O2/c24-19(18-15-16-7-1-2-8-17(16)20-18)25-14-13-23(21-9-3-4-10-21)22-11-5-6-12-22/h1-12,15,20H,13-14H2
InChIKeyXPZIRGIDQVAFKB-UHFFFAOYSA-N
XLogP3.03
TPSA55.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[di(pyrrol-1-yl)amino]ethyl 1H-indole-2-carboxylate?
The IUPAC name of 2-[di(pyrrol-1-yl)amino]ethyl 1H-indole-2-carboxylate (CID 57340223) is 2-[di(pyrrol-1-yl)amino]ethyl 1H-indole-2-carboxylate.
What is the SMILES notation for 2-[di(pyrrol-1-yl)amino]ethyl 1H-indole-2-carboxylate?
The canonical SMILES for 2-[di(pyrrol-1-yl)amino]ethyl 1H-indole-2-carboxylate is O=C(OCCN(n1cccc1)n1cccc1)c1cc2ccccc2[nH]1.
What is the InChIKey of 2-[di(pyrrol-1-yl)amino]ethyl 1H-indole-2-carboxylate?
The InChIKey is XPZIRGIDQVAFKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2/c24-19(18-15-16-7-1-2-8-17(16)20-18)25-14-13-23(21-9-3-4-10-21)22-11-5-6-12-22/h1-12,15,20H,13-14H2.
What are the key properties of 2-[di(pyrrol-1-yl)amino]ethyl 1H-indole-2-carboxylate?
2-[di(pyrrol-1-yl)amino]ethyl 1H-indole-2-carboxylate has a molecular weight of 334.38 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[di(pyrrol-1-yl)amino]ethyl 1H-indole-2-carboxylate is sourced from PubChem (CID 57340223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).