2-(2,6-dimethylmorpholin-4-yl)-1-(8-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)ethanone

C20H27N3O2 — CID 660702

IUPAC2-(2,6-dimethylmorpholin-4-yl)-1-(8-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)ethanone
SMILESCc1ccc2[nH]c3c(c2c1)CN(C(=O)CN1CC(C)OC(C)C1)CC3
InChIInChI=1S/C20H27N3O2/c1-13-4-5-18-16(8-13)17-11-23(7-6-19(17)21-18)20(24)12-22-9-14(2)25-15(3)10-22/h4-5,8,14-15,21H,6-7,9-12H2,1-3H3
InChIKeySXONHAOPCABKBQ-UHFFFAOYSA-N
MW341.46 g/mol
LogP2.47
Rot. Bonds2

About 2-(2,6-dimethylmorpholin-4-yl)-1-(8-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)ethanone

2-(2,6-dimethylmorpholin-4-yl)-1-(8-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)ethanone (PubChem CID 660702) has the molecular formula C20H27N3O2 and a molecular weight of 341.46 g/mol. Its IUPAC name is 2-(2,6-dimethylmorpholin-4-yl)-1-(8-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)ethanone.

Molecular Properties

Compound Name2-(2,6-dimethylmorpholin-4-yl)-1-(8-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)ethanone
PubChem CID660702
Molecular FormulaC20H27N3O2
Molecular Weight341.46 g/mol
Exact Mass341.21
IUPAC Name2-(2,6-dimethylmorpholin-4-yl)-1-(8-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)ethanone
SMILESCc1ccc2[nH]c3c(c2c1)CN(C(=O)CN1CC(C)OC(C)C1)CC3
InChIInChI=1S/C20H27N3O2/c1-13-4-5-18-16(8-13)17-11-23(7-6-19(17)21-18)20(24)12-22-9-14(2)25-15(3)10-22/h4-5,8,14-15,21H,6-7,9-12H2,1-3H3
InChIKeySXONHAOPCABKBQ-UHFFFAOYSA-N
XLogP2.47
TPSA48.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylmorpholin-4-yl)-1-(8-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)ethanone?
The IUPAC name of 2-(2,6-dimethylmorpholin-4-yl)-1-(8-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)ethanone (CID 660702) is 2-(2,6-dimethylmorpholin-4-yl)-1-(8-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)ethanone.
What is the SMILES notation for 2-(2,6-dimethylmorpholin-4-yl)-1-(8-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)ethanone?
The canonical SMILES for 2-(2,6-dimethylmorpholin-4-yl)-1-(8-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)ethanone is Cc1ccc2[nH]c3c(c2c1)CN(C(=O)CN1CC(C)OC(C)C1)CC3.
What is the InChIKey of 2-(2,6-dimethylmorpholin-4-yl)-1-(8-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)ethanone?
The InChIKey is SXONHAOPCABKBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-13-4-5-18-16(8-13)17-11-23(7-6-19(17)21-18)20(24)12-22-9-14(2)25-15(3)10-22/h4-5,8,14-15,21H,6-7,9-12H2,1-3H3.
What are the key properties of 2-(2,6-dimethylmorpholin-4-yl)-1-(8-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)ethanone?
2-(2,6-dimethylmorpholin-4-yl)-1-(8-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)ethanone has a molecular weight of 341.46 g/mol, XLogP of 2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethylmorpholin-4-yl)-1-(8-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)ethanone is sourced from PubChem (CID 660702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).