2-hydroxyethyl 3-[4-[2-[(dimethylamino)methyl]-1H-indol-4-yl]-2,5-dioxopyrrol-3-yl]-1H-indole-7-carboxylate

C26H24N4O5 — CID 71204204

IUPAC2-hydroxyethyl 3-[4-[2-[(dimethylamino)methyl]-1H-indol-4-yl]-2,5-dioxopyrrol-3-yl]-1H-indole-7-carboxylate
SMILESCN(C)Cc1cc2c(C3=C(c4c[nH]c5c(C(=O)OCCO)cccc45)C(=O)NC3=O)cccc2[nH]1
InChIInChI=1S/C26H24N4O5/c1-30(2)13-14-11-18-15(5-4-8-20(18)28-14)21-22(25(33)29-24(21)32)19-12-27-23-16(19)6-3-7-17(23)26(34)35-10-9-31/h3-8,11-12,27-28,31H,9-10,13H2,1-2H3,(H,29,32,33)
InChIKeyOWAZJDHUPKXFAM-UHFFFAOYSA-N
MW472.50 g/mol
LogP2.43
Rot. Bonds7

About 2-hydroxyethyl 3-[4-[2-[(dimethylamino)methyl]-1H-indol-4-yl]-2,5-dioxopyrrol-3-yl]-1H-indole-7-carboxylate

2-hydroxyethyl 3-[4-[2-[(dimethylamino)methyl]-1H-indol-4-yl]-2,5-dioxopyrrol-3-yl]-1H-indole-7-carboxylate (PubChem CID 71204204) has the molecular formula C26H24N4O5 and a molecular weight of 472.50 g/mol. Its IUPAC name is 2-hydroxyethyl 3-[4-[2-[(dimethylamino)methyl]-1H-indol-4-yl]-2,5-dioxopyrrol-3-yl]-1H-indole-7-carboxylate.

Molecular Properties

Compound Name2-hydroxyethyl 3-[4-[2-[(dimethylamino)methyl]-1H-indol-4-yl]-2,5-dioxopyrrol-3-yl]-1H-indole-7-carboxylate
PubChem CID71204204
Molecular FormulaC26H24N4O5
Molecular Weight472.50 g/mol
Exact Mass472.17
IUPAC Name2-hydroxyethyl 3-[4-[2-[(dimethylamino)methyl]-1H-indol-4-yl]-2,5-dioxopyrrol-3-yl]-1H-indole-7-carboxylate
SMILESCN(C)Cc1cc2c(C3=C(c4c[nH]c5c(C(=O)OCCO)cccc45)C(=O)NC3=O)cccc2[nH]1
InChIInChI=1S/C26H24N4O5/c1-30(2)13-14-11-18-15(5-4-8-20(18)28-14)21-22(25(33)29-24(21)32)19-12-27-23-16(19)6-3-7-17(23)26(34)35-10-9-31/h3-8,11-12,27-28,31H,9-10,13H2,1-2H3,(H,29,32,33)
InChIKeyOWAZJDHUPKXFAM-UHFFFAOYSA-N
XLogP2.43
TPSA127.52 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.50
LogP ≤ 52.43
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl 3-[4-[2-[(dimethylamino)methyl]-1H-indol-4-yl]-2,5-dioxopyrrol-3-yl]-1H-indole-7-carboxylate?
The IUPAC name of 2-hydroxyethyl 3-[4-[2-[(dimethylamino)methyl]-1H-indol-4-yl]-2,5-dioxopyrrol-3-yl]-1H-indole-7-carboxylate (CID 71204204) is 2-hydroxyethyl 3-[4-[2-[(dimethylamino)methyl]-1H-indol-4-yl]-2,5-dioxopyrrol-3-yl]-1H-indole-7-carboxylate.
What is the SMILES notation for 2-hydroxyethyl 3-[4-[2-[(dimethylamino)methyl]-1H-indol-4-yl]-2,5-dioxopyrrol-3-yl]-1H-indole-7-carboxylate?
The canonical SMILES for 2-hydroxyethyl 3-[4-[2-[(dimethylamino)methyl]-1H-indol-4-yl]-2,5-dioxopyrrol-3-yl]-1H-indole-7-carboxylate is CN(C)Cc1cc2c(C3=C(c4c[nH]c5c(C(=O)OCCO)cccc45)C(=O)NC3=O)cccc2[nH]1.
What is the InChIKey of 2-hydroxyethyl 3-[4-[2-[(dimethylamino)methyl]-1H-indol-4-yl]-2,5-dioxopyrrol-3-yl]-1H-indole-7-carboxylate?
The InChIKey is OWAZJDHUPKXFAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O5/c1-30(2)13-14-11-18-15(5-4-8-20(18)28-14)21-22(25(33)29-24(21)32)19-12-27-23-16(19)6-3-7-17(23)26(34)35-10-9-31/h3-8,11-12,27-28,31H,9-10,13H2,1-2H3,(H,29,32,33).
What are the key properties of 2-hydroxyethyl 3-[4-[2-[(dimethylamino)methyl]-1H-indol-4-yl]-2,5-dioxopyrrol-3-yl]-1H-indole-7-carboxylate?
2-hydroxyethyl 3-[4-[2-[(dimethylamino)methyl]-1H-indol-4-yl]-2,5-dioxopyrrol-3-yl]-1H-indole-7-carboxylate has a molecular weight of 472.50 g/mol, XLogP of 2.43, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl 3-[4-[2-[(dimethylamino)methyl]-1H-indol-4-yl]-2,5-dioxopyrrol-3-yl]-1H-indole-7-carboxylate is sourced from PubChem (CID 71204204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).