1-(5-methoxy-1,2-dimethylindol-3-yl)-2-morpholin-4-ylethanone

C17H22N2O3 — CID 657475

IUPAC1-(5-methoxy-1,2-dimethylindol-3-yl)-2-morpholin-4-ylethanone
SMILESCOc1ccc2c(c1)c(C(=O)CN1CCOCC1)c(C)n2C
InChIInChI=1S/C17H22N2O3/c1-12-17(16(20)11-19-6-8-22-9-7-19)14-10-13(21-3)4-5-15(14)18(12)2/h4-5,10H,6-9,11H2,1-3H3
InChIKeyQWTWRWWFGHJLGM-UHFFFAOYSA-N
MW302.37 g/mol
LogP2.01
Rot. Bonds4

About 1-(5-methoxy-1,2-dimethylindol-3-yl)-2-morpholin-4-ylethanone

1-(5-methoxy-1,2-dimethylindol-3-yl)-2-morpholin-4-ylethanone (PubChem CID 657475) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is 1-(5-methoxy-1,2-dimethylindol-3-yl)-2-morpholin-4-ylethanone.

Molecular Properties

Compound Name1-(5-methoxy-1,2-dimethylindol-3-yl)-2-morpholin-4-ylethanone
PubChem CID657475
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC Name1-(5-methoxy-1,2-dimethylindol-3-yl)-2-morpholin-4-ylethanone
SMILESCOc1ccc2c(c1)c(C(=O)CN1CCOCC1)c(C)n2C
InChIInChI=1S/C17H22N2O3/c1-12-17(16(20)11-19-6-8-22-9-7-19)14-10-13(21-3)4-5-15(14)18(12)2/h4-5,10H,6-9,11H2,1-3H3
InChIKeyQWTWRWWFGHJLGM-UHFFFAOYSA-N
XLogP2.01
TPSA43.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methoxy-1,2-dimethylindol-3-yl)-2-morpholin-4-ylethanone?
The IUPAC name of 1-(5-methoxy-1,2-dimethylindol-3-yl)-2-morpholin-4-ylethanone (CID 657475) is 1-(5-methoxy-1,2-dimethylindol-3-yl)-2-morpholin-4-ylethanone.
What is the SMILES notation for 1-(5-methoxy-1,2-dimethylindol-3-yl)-2-morpholin-4-ylethanone?
The canonical SMILES for 1-(5-methoxy-1,2-dimethylindol-3-yl)-2-morpholin-4-ylethanone is COc1ccc2c(c1)c(C(=O)CN1CCOCC1)c(C)n2C.
What is the InChIKey of 1-(5-methoxy-1,2-dimethylindol-3-yl)-2-morpholin-4-ylethanone?
The InChIKey is QWTWRWWFGHJLGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3/c1-12-17(16(20)11-19-6-8-22-9-7-19)14-10-13(21-3)4-5-15(14)18(12)2/h4-5,10H,6-9,11H2,1-3H3.
What are the key properties of 1-(5-methoxy-1,2-dimethylindol-3-yl)-2-morpholin-4-ylethanone?
1-(5-methoxy-1,2-dimethylindol-3-yl)-2-morpholin-4-ylethanone has a molecular weight of 302.37 g/mol, XLogP of 2.01, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methoxy-1,2-dimethylindol-3-yl)-2-morpholin-4-ylethanone is sourced from PubChem (CID 657475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).