1H-indol-2-yl-[5-(2-morpholin-4-ylethoxy)-1H-indol-2-yl]methanone

C23H23N3O3 — CID 5330538

IUPAC1H-indol-2-yl-[5-(2-morpholin-4-ylethoxy)-1H-indol-2-yl]methanone
SMILESO=C(c1cc2ccccc2[nH]1)c1cc2cc(OCCN3CCOCC3)ccc2[nH]1
InChIInChI=1S/C23H23N3O3/c27-23(21-14-16-3-1-2-4-19(16)24-21)22-15-17-13-18(5-6-20(17)25-22)29-12-9-26-7-10-28-11-8-26/h1-6,13-15,24-25H,7-12H2
InChIKeyQDELNGWKLWYINZ-UHFFFAOYSA-N
MW389.46 g/mol
LogP3.59
Rot. Bonds6

About 1H-indol-2-yl-[5-(2-morpholin-4-ylethoxy)-1H-indol-2-yl]methanone

1H-indol-2-yl-[5-(2-morpholin-4-ylethoxy)-1H-indol-2-yl]methanone (PubChem CID 5330538) has the molecular formula C23H23N3O3 and a molecular weight of 389.46 g/mol. Its IUPAC name is 1H-indol-2-yl-[5-(2-morpholin-4-ylethoxy)-1H-indol-2-yl]methanone.

Molecular Properties

Compound Name1H-indol-2-yl-[5-(2-morpholin-4-ylethoxy)-1H-indol-2-yl]methanone
PubChem CID5330538
Molecular FormulaC23H23N3O3
Molecular Weight389.46 g/mol
Exact Mass389.17
IUPAC Name1H-indol-2-yl-[5-(2-morpholin-4-ylethoxy)-1H-indol-2-yl]methanone
SMILESO=C(c1cc2ccccc2[nH]1)c1cc2cc(OCCN3CCOCC3)ccc2[nH]1
InChIInChI=1S/C23H23N3O3/c27-23(21-14-16-3-1-2-4-19(16)24-21)22-15-17-13-18(5-6-20(17)25-22)29-12-9-26-7-10-28-11-8-26/h1-6,13-15,24-25H,7-12H2
InChIKeyQDELNGWKLWYINZ-UHFFFAOYSA-N
XLogP3.59
TPSA70.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1H-indol-2-yl-[5-(2-morpholin-4-ylethoxy)-1H-indol-2-yl]methanone?
The IUPAC name of 1H-indol-2-yl-[5-(2-morpholin-4-ylethoxy)-1H-indol-2-yl]methanone (CID 5330538) is 1H-indol-2-yl-[5-(2-morpholin-4-ylethoxy)-1H-indol-2-yl]methanone.
What is the SMILES notation for 1H-indol-2-yl-[5-(2-morpholin-4-ylethoxy)-1H-indol-2-yl]methanone?
The canonical SMILES for 1H-indol-2-yl-[5-(2-morpholin-4-ylethoxy)-1H-indol-2-yl]methanone is O=C(c1cc2ccccc2[nH]1)c1cc2cc(OCCN3CCOCC3)ccc2[nH]1.
What is the InChIKey of 1H-indol-2-yl-[5-(2-morpholin-4-ylethoxy)-1H-indol-2-yl]methanone?
The InChIKey is QDELNGWKLWYINZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O3/c27-23(21-14-16-3-1-2-4-19(16)24-21)22-15-17-13-18(5-6-20(17)25-22)29-12-9-26-7-10-28-11-8-26/h1-6,13-15,24-25H,7-12H2.
What are the key properties of 1H-indol-2-yl-[5-(2-morpholin-4-ylethoxy)-1H-indol-2-yl]methanone?
1H-indol-2-yl-[5-(2-morpholin-4-ylethoxy)-1H-indol-2-yl]methanone has a molecular weight of 389.46 g/mol, XLogP of 3.59, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indol-2-yl-[5-(2-morpholin-4-ylethoxy)-1H-indol-2-yl]methanone is sourced from PubChem (CID 5330538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).