[1-[2-(4-methylmorpholin-4-ium-4-yl)ethyl]indol-3-yl]-naphthalen-1-ylmethanone

C26H27N2O2+ — CID 10099544

IUPAC[1-[2-(4-methylmorpholin-4-ium-4-yl)ethyl]indol-3-yl]-naphthalen-1-ylmethanone
SMILESC[N+]1(CCn2cc(C(=O)c3cccc4ccccc34)c3ccccc32)CCOCC1
InChIInChI=1S/C26H27N2O2/c1-28(15-17-30-18-16-28)14-13-27-19-24(22-10-4-5-12-25(22)27)26(29)23-11-6-8-20-7-2-3-9-21(20)23/h2-12,19H,13-18H2,1H3/q+1
InChIKeyFPWFPHBGBGFVQP-UHFFFAOYSA-N
MW399.51 g/mol
LogP4.50
Rot. Bonds5

About [1-[2-(4-methylmorpholin-4-ium-4-yl)ethyl]indol-3-yl]-naphthalen-1-ylmethanone

[1-[2-(4-methylmorpholin-4-ium-4-yl)ethyl]indol-3-yl]-naphthalen-1-ylmethanone (PubChem CID 10099544) has the molecular formula C26H27N2O2+ and a molecular weight of 399.51 g/mol. Its IUPAC name is [1-[2-(4-methylmorpholin-4-ium-4-yl)ethyl]indol-3-yl]-naphthalen-1-ylmethanone.

Molecular Properties

Compound Name[1-[2-(4-methylmorpholin-4-ium-4-yl)ethyl]indol-3-yl]-naphthalen-1-ylmethanone
PubChem CID10099544
Molecular FormulaC26H27N2O2+
Molecular Weight399.51 g/mol
Exact Mass399.21
IUPAC Name[1-[2-(4-methylmorpholin-4-ium-4-yl)ethyl]indol-3-yl]-naphthalen-1-ylmethanone
SMILESC[N+]1(CCn2cc(C(=O)c3cccc4ccccc34)c3ccccc32)CCOCC1
InChIInChI=1S/C26H27N2O2/c1-28(15-17-30-18-16-28)14-13-27-19-24(22-10-4-5-12-25(22)27)26(29)23-11-6-8-20-7-2-3-9-21(20)23/h2-12,19H,13-18H2,1H3/q+1
InChIKeyFPWFPHBGBGFVQP-UHFFFAOYSA-N
XLogP4.50
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.51
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [1-[2-(4-methylmorpholin-4-ium-4-yl)ethyl]indol-3-yl]-naphthalen-1-ylmethanone?
The IUPAC name of [1-[2-(4-methylmorpholin-4-ium-4-yl)ethyl]indol-3-yl]-naphthalen-1-ylmethanone (CID 10099544) is [1-[2-(4-methylmorpholin-4-ium-4-yl)ethyl]indol-3-yl]-naphthalen-1-ylmethanone.
What is the SMILES notation for [1-[2-(4-methylmorpholin-4-ium-4-yl)ethyl]indol-3-yl]-naphthalen-1-ylmethanone?
The canonical SMILES for [1-[2-(4-methylmorpholin-4-ium-4-yl)ethyl]indol-3-yl]-naphthalen-1-ylmethanone is C[N+]1(CCn2cc(C(=O)c3cccc4ccccc34)c3ccccc32)CCOCC1.
What is the InChIKey of [1-[2-(4-methylmorpholin-4-ium-4-yl)ethyl]indol-3-yl]-naphthalen-1-ylmethanone?
The InChIKey is FPWFPHBGBGFVQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N2O2/c1-28(15-17-30-18-16-28)14-13-27-19-24(22-10-4-5-12-25(22)27)26(29)23-11-6-8-20-7-2-3-9-21(20)23/h2-12,19H,13-18H2,1H3/q+1.
What are the key properties of [1-[2-(4-methylmorpholin-4-ium-4-yl)ethyl]indol-3-yl]-naphthalen-1-ylmethanone?
[1-[2-(4-methylmorpholin-4-ium-4-yl)ethyl]indol-3-yl]-naphthalen-1-ylmethanone has a molecular weight of 399.51 g/mol, XLogP of 4.50, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(4-methylmorpholin-4-ium-4-yl)ethyl]indol-3-yl]-naphthalen-1-ylmethanone is sourced from PubChem (CID 10099544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).