(4-methoxynaphthalen-1-yl)-[1-(2-morpholin-4-ylethyl)indol-3-yl]methanone

C26H26N2O3 — CID 10319620

IUPAC(4-methoxynaphthalen-1-yl)-[1-(2-morpholin-4-ylethyl)indol-3-yl]methanone
SMILESCOc1ccc(C(=O)c2cn(CCN3CCOCC3)c3ccccc23)c2ccccc12
InChIInChI=1S/C26H26N2O3/c1-30-25-11-10-22(19-6-2-3-8-21(19)25)26(29)23-18-28(24-9-5-4-7-20(23)24)13-12-27-14-16-31-17-15-27/h2-11,18H,12-17H2,1H3
InChIKeyQWHSUXWDDKWTOG-UHFFFAOYSA-N
MW414.51 g/mol
LogP4.37
Rot. Bonds6

About (4-methoxynaphthalen-1-yl)-[1-(2-morpholin-4-ylethyl)indol-3-yl]methanone

(4-methoxynaphthalen-1-yl)-[1-(2-morpholin-4-ylethyl)indol-3-yl]methanone (PubChem CID 10319620) has the molecular formula C26H26N2O3 and a molecular weight of 414.51 g/mol. Its IUPAC name is (4-methoxynaphthalen-1-yl)-[1-(2-morpholin-4-ylethyl)indol-3-yl]methanone.

Molecular Properties

Compound Name(4-methoxynaphthalen-1-yl)-[1-(2-morpholin-4-ylethyl)indol-3-yl]methanone
PubChem CID10319620
Molecular FormulaC26H26N2O3
Molecular Weight414.51 g/mol
Exact Mass414.19
IUPAC Name(4-methoxynaphthalen-1-yl)-[1-(2-morpholin-4-ylethyl)indol-3-yl]methanone
SMILESCOc1ccc(C(=O)c2cn(CCN3CCOCC3)c3ccccc23)c2ccccc12
InChIInChI=1S/C26H26N2O3/c1-30-25-11-10-22(19-6-2-3-8-21(19)25)26(29)23-18-28(24-9-5-4-7-20(23)24)13-12-27-14-16-31-17-15-27/h2-11,18H,12-17H2,1H3
InChIKeyQWHSUXWDDKWTOG-UHFFFAOYSA-N
XLogP4.37
TPSA43.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-methoxynaphthalen-1-yl)-[1-(2-morpholin-4-ylethyl)indol-3-yl]methanone?
The IUPAC name of (4-methoxynaphthalen-1-yl)-[1-(2-morpholin-4-ylethyl)indol-3-yl]methanone (CID 10319620) is (4-methoxynaphthalen-1-yl)-[1-(2-morpholin-4-ylethyl)indol-3-yl]methanone.
What is the SMILES notation for (4-methoxynaphthalen-1-yl)-[1-(2-morpholin-4-ylethyl)indol-3-yl]methanone?
The canonical SMILES for (4-methoxynaphthalen-1-yl)-[1-(2-morpholin-4-ylethyl)indol-3-yl]methanone is COc1ccc(C(=O)c2cn(CCN3CCOCC3)c3ccccc23)c2ccccc12.
What is the InChIKey of (4-methoxynaphthalen-1-yl)-[1-(2-morpholin-4-ylethyl)indol-3-yl]methanone?
The InChIKey is QWHSUXWDDKWTOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O3/c1-30-25-11-10-22(19-6-2-3-8-21(19)25)26(29)23-18-28(24-9-5-4-7-20(23)24)13-12-27-14-16-31-17-15-27/h2-11,18H,12-17H2,1H3.
What are the key properties of (4-methoxynaphthalen-1-yl)-[1-(2-morpholin-4-ylethyl)indol-3-yl]methanone?
(4-methoxynaphthalen-1-yl)-[1-(2-morpholin-4-ylethyl)indol-3-yl]methanone has a molecular weight of 414.51 g/mol, XLogP of 4.37, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxynaphthalen-1-yl)-[1-(2-morpholin-4-ylethyl)indol-3-yl]methanone is sourced from PubChem (CID 10319620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).