[2-methyl-1-(2-morpholin-4-ylethyl)indol-3-yl]-naphthalen-1-ylmethanone

C26H26N2O2 — CID 10250275

IUPAC[2-methyl-1-(2-morpholin-4-ylethyl)indol-3-yl]-naphthalen-1-ylmethanone
SMILESCc1c(C(=O)c2cccc3ccccc23)c2ccccc2n1CCN1CCOCC1
InChIInChI=1S/C26H26N2O2/c1-19-25(26(29)22-11-6-8-20-7-2-3-9-21(20)22)23-10-4-5-12-24(23)28(19)14-13-27-15-17-30-18-16-27/h2-12H,13-18H2,1H3
InChIKeyMCYSYVGXDRTALC-UHFFFAOYSA-N
MW398.51 g/mol
LogP4.67
Rot. Bonds5

About [2-methyl-1-(2-morpholin-4-ylethyl)indol-3-yl]-naphthalen-1-ylmethanone

[2-methyl-1-(2-morpholin-4-ylethyl)indol-3-yl]-naphthalen-1-ylmethanone (PubChem CID 10250275) has the molecular formula C26H26N2O2 and a molecular weight of 398.51 g/mol. Its IUPAC name is [2-methyl-1-(2-morpholin-4-ylethyl)indol-3-yl]-naphthalen-1-ylmethanone.

Molecular Properties

Compound Name[2-methyl-1-(2-morpholin-4-ylethyl)indol-3-yl]-naphthalen-1-ylmethanone
PubChem CID10250275
Molecular FormulaC26H26N2O2
Molecular Weight398.51 g/mol
Exact Mass398.20
IUPAC Name[2-methyl-1-(2-morpholin-4-ylethyl)indol-3-yl]-naphthalen-1-ylmethanone
SMILESCc1c(C(=O)c2cccc3ccccc23)c2ccccc2n1CCN1CCOCC1
InChIInChI=1S/C26H26N2O2/c1-19-25(26(29)22-11-6-8-20-7-2-3-9-21(20)22)23-10-4-5-12-24(23)28(19)14-13-27-15-17-30-18-16-27/h2-12H,13-18H2,1H3
InChIKeyMCYSYVGXDRTALC-UHFFFAOYSA-N
XLogP4.67
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-methyl-1-(2-morpholin-4-ylethyl)indol-3-yl]-naphthalen-1-ylmethanone?
The IUPAC name of [2-methyl-1-(2-morpholin-4-ylethyl)indol-3-yl]-naphthalen-1-ylmethanone (CID 10250275) is [2-methyl-1-(2-morpholin-4-ylethyl)indol-3-yl]-naphthalen-1-ylmethanone.
What is the SMILES notation for [2-methyl-1-(2-morpholin-4-ylethyl)indol-3-yl]-naphthalen-1-ylmethanone?
The canonical SMILES for [2-methyl-1-(2-morpholin-4-ylethyl)indol-3-yl]-naphthalen-1-ylmethanone is Cc1c(C(=O)c2cccc3ccccc23)c2ccccc2n1CCN1CCOCC1.
What is the InChIKey of [2-methyl-1-(2-morpholin-4-ylethyl)indol-3-yl]-naphthalen-1-ylmethanone?
The InChIKey is MCYSYVGXDRTALC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O2/c1-19-25(26(29)22-11-6-8-20-7-2-3-9-21(20)22)23-10-4-5-12-24(23)28(19)14-13-27-15-17-30-18-16-27/h2-12H,13-18H2,1H3.
What are the key properties of [2-methyl-1-(2-morpholin-4-ylethyl)indol-3-yl]-naphthalen-1-ylmethanone?
[2-methyl-1-(2-morpholin-4-ylethyl)indol-3-yl]-naphthalen-1-ylmethanone has a molecular weight of 398.51 g/mol, XLogP of 4.67, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-1-(2-morpholin-4-ylethyl)indol-3-yl]-naphthalen-1-ylmethanone is sourced from PubChem (CID 10250275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).