1-(7-chloro-2,3-dimethylindol-1-yl)-3-morpholin-4-ylpropan-2-ol

C17H23ClN2O2 — CID 17028346

IUPAC1-(7-chloro-2,3-dimethylindol-1-yl)-3-morpholin-4-ylpropan-2-ol
SMILESCc1c(C)n(CC(O)CN2CCOCC2)c2c(Cl)cccc12
InChIInChI=1S/C17H23ClN2O2/c1-12-13(2)20(17-15(12)4-3-5-16(17)18)11-14(21)10-19-6-8-22-9-7-19/h3-5,14,21H,6-11H2,1-2H3
InChIKeyOOKJRMITCIJHJP-UHFFFAOYSA-N
MW322.84 g/mol
LogP2.60
Rot. Bonds4

About 1-(7-chloro-2,3-dimethylindol-1-yl)-3-morpholin-4-ylpropan-2-ol

1-(7-chloro-2,3-dimethylindol-1-yl)-3-morpholin-4-ylpropan-2-ol (PubChem CID 17028346) has the molecular formula C17H23ClN2O2 and a molecular weight of 322.84 g/mol. Its IUPAC name is 1-(7-chloro-2,3-dimethylindol-1-yl)-3-morpholin-4-ylpropan-2-ol.

Molecular Properties

Compound Name1-(7-chloro-2,3-dimethylindol-1-yl)-3-morpholin-4-ylpropan-2-ol
PubChem CID17028346
Molecular FormulaC17H23ClN2O2
Molecular Weight322.84 g/mol
Exact Mass322.14
IUPAC Name1-(7-chloro-2,3-dimethylindol-1-yl)-3-morpholin-4-ylpropan-2-ol
SMILESCc1c(C)n(CC(O)CN2CCOCC2)c2c(Cl)cccc12
InChIInChI=1S/C17H23ClN2O2/c1-12-13(2)20(17-15(12)4-3-5-16(17)18)11-14(21)10-19-6-8-22-9-7-19/h3-5,14,21H,6-11H2,1-2H3
InChIKeyOOKJRMITCIJHJP-UHFFFAOYSA-N
XLogP2.60
TPSA37.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.84
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 1-(7-chloro-2,3-dimethylindol-1-yl)-3-morpholin-4-ylpropan-2-ol?
The IUPAC name of 1-(7-chloro-2,3-dimethylindol-1-yl)-3-morpholin-4-ylpropan-2-ol (CID 17028346) is 1-(7-chloro-2,3-dimethylindol-1-yl)-3-morpholin-4-ylpropan-2-ol.
What is the SMILES notation for 1-(7-chloro-2,3-dimethylindol-1-yl)-3-morpholin-4-ylpropan-2-ol?
The canonical SMILES for 1-(7-chloro-2,3-dimethylindol-1-yl)-3-morpholin-4-ylpropan-2-ol is Cc1c(C)n(CC(O)CN2CCOCC2)c2c(Cl)cccc12.
What is the InChIKey of 1-(7-chloro-2,3-dimethylindol-1-yl)-3-morpholin-4-ylpropan-2-ol?
The InChIKey is OOKJRMITCIJHJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN2O2/c1-12-13(2)20(17-15(12)4-3-5-16(17)18)11-14(21)10-19-6-8-22-9-7-19/h3-5,14,21H,6-11H2,1-2H3.
What are the key properties of 1-(7-chloro-2,3-dimethylindol-1-yl)-3-morpholin-4-ylpropan-2-ol?
1-(7-chloro-2,3-dimethylindol-1-yl)-3-morpholin-4-ylpropan-2-ol has a molecular weight of 322.84 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-chloro-2,3-dimethylindol-1-yl)-3-morpholin-4-ylpropan-2-ol is sourced from PubChem (CID 17028346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).