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

C27H28N2O3 — CID 11743324

IUPAC[7-methoxy-2-methyl-1-(2-morpholin-4-ylethyl)indol-3-yl]-naphthalen-1-ylmethanone
SMILESCOc1cccc2c(C(=O)c3cccc4ccccc34)c(C)n(CCN3CCOCC3)c12
InChIInChI=1S/C27H28N2O3/c1-19-25(27(30)22-10-5-8-20-7-3-4-9-21(20)22)23-11-6-12-24(31-2)26(23)29(19)14-13-28-15-17-32-18-16-28/h3-12H,13-18H2,1-2H3
InChIKeyMTRFKNOYFXNZLW-UHFFFAOYSA-N
MW428.53 g/mol
LogP4.67
Rot. Bonds6

About [7-methoxy-2-methyl-1-(2-morpholin-4-ylethyl)indol-3-yl]-naphthalen-1-ylmethanone

[7-methoxy-2-methyl-1-(2-morpholin-4-ylethyl)indol-3-yl]-naphthalen-1-ylmethanone (PubChem CID 11743324) has the molecular formula C27H28N2O3 and a molecular weight of 428.53 g/mol. Its IUPAC name is [7-methoxy-2-methyl-1-(2-morpholin-4-ylethyl)indol-3-yl]-naphthalen-1-ylmethanone.

Molecular Properties

Compound Name[7-methoxy-2-methyl-1-(2-morpholin-4-ylethyl)indol-3-yl]-naphthalen-1-ylmethanone
PubChem CID11743324
Molecular FormulaC27H28N2O3
Molecular Weight428.53 g/mol
Exact Mass428.21
IUPAC Name[7-methoxy-2-methyl-1-(2-morpholin-4-ylethyl)indol-3-yl]-naphthalen-1-ylmethanone
SMILESCOc1cccc2c(C(=O)c3cccc4ccccc34)c(C)n(CCN3CCOCC3)c12
InChIInChI=1S/C27H28N2O3/c1-19-25(27(30)22-10-5-8-20-7-3-4-9-21(20)22)23-11-6-12-24(31-2)26(23)29(19)14-13-28-15-17-32-18-16-28/h3-12H,13-18H2,1-2H3
InChIKeyMTRFKNOYFXNZLW-UHFFFAOYSA-N
XLogP4.67
TPSA43.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.53
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [7-methoxy-2-methyl-1-(2-morpholin-4-ylethyl)indol-3-yl]-naphthalen-1-ylmethanone?
The IUPAC name of [7-methoxy-2-methyl-1-(2-morpholin-4-ylethyl)indol-3-yl]-naphthalen-1-ylmethanone (CID 11743324) is [7-methoxy-2-methyl-1-(2-morpholin-4-ylethyl)indol-3-yl]-naphthalen-1-ylmethanone.
What is the SMILES notation for [7-methoxy-2-methyl-1-(2-morpholin-4-ylethyl)indol-3-yl]-naphthalen-1-ylmethanone?
The canonical SMILES for [7-methoxy-2-methyl-1-(2-morpholin-4-ylethyl)indol-3-yl]-naphthalen-1-ylmethanone is COc1cccc2c(C(=O)c3cccc4ccccc34)c(C)n(CCN3CCOCC3)c12.
What is the InChIKey of [7-methoxy-2-methyl-1-(2-morpholin-4-ylethyl)indol-3-yl]-naphthalen-1-ylmethanone?
The InChIKey is MTRFKNOYFXNZLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N2O3/c1-19-25(27(30)22-10-5-8-20-7-3-4-9-21(20)22)23-11-6-12-24(31-2)26(23)29(19)14-13-28-15-17-32-18-16-28/h3-12H,13-18H2,1-2H3.
What are the key properties of [7-methoxy-2-methyl-1-(2-morpholin-4-ylethyl)indol-3-yl]-naphthalen-1-ylmethanone?
[7-methoxy-2-methyl-1-(2-morpholin-4-ylethyl)indol-3-yl]-naphthalen-1-ylmethanone has a molecular weight of 428.53 g/mol, XLogP of 4.67, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [7-methoxy-2-methyl-1-(2-morpholin-4-ylethyl)indol-3-yl]-naphthalen-1-ylmethanone is sourced from PubChem (CID 11743324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).