1-(2,3-dimethylindol-1-yl)-3-morpholin-4-ylpropan-2-ol;oxalic acid

C19H26N2O6 — CID 653631

IUPAC1-(2,3-dimethylindol-1-yl)-3-morpholin-4-ylpropan-2-ol;oxalic acid
SMILESCc1c(C)n(CC(O)CN2CCOCC2)c2ccccc12.O=C(O)C(=O)O
InChIInChI=1S/C17H24N2O2.C2H2O4/c1-13-14(2)19(17-6-4-3-5-16(13)17)12-15(20)11-18-7-9-21-10-8-18;3-1(4)2(5)6/h3-6,15,20H,7-12H2,1-2H3;(H,3,4)(H,5,6)
InChIKeyFGKPOXRGWBMMBM-UHFFFAOYSA-N
MW378.43 g/mol
LogP1.11
Rot. Bonds4

About 1-(2,3-dimethylindol-1-yl)-3-morpholin-4-ylpropan-2-ol;oxalic acid

1-(2,3-dimethylindol-1-yl)-3-morpholin-4-ylpropan-2-ol;oxalic acid (PubChem CID 653631) has the molecular formula C19H26N2O6 and a molecular weight of 378.43 g/mol. Its IUPAC name is 1-(2,3-dimethylindol-1-yl)-3-morpholin-4-ylpropan-2-ol;oxalic acid.

Molecular Properties

Compound Name1-(2,3-dimethylindol-1-yl)-3-morpholin-4-ylpropan-2-ol;oxalic acid
PubChem CID653631
Molecular FormulaC19H26N2O6
Molecular Weight378.43 g/mol
Exact Mass378.18
IUPAC Name1-(2,3-dimethylindol-1-yl)-3-morpholin-4-ylpropan-2-ol;oxalic acid
SMILESCc1c(C)n(CC(O)CN2CCOCC2)c2ccccc12.O=C(O)C(=O)O
InChIInChI=1S/C17H24N2O2.C2H2O4/c1-13-14(2)19(17-6-4-3-5-16(13)17)12-15(20)11-18-7-9-21-10-8-18;3-1(4)2(5)6/h3-6,15,20H,7-12H2,1-2H3;(H,3,4)(H,5,6)
InChIKeyFGKPOXRGWBMMBM-UHFFFAOYSA-N
XLogP1.11
TPSA112.23 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 51.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylindol-1-yl)-3-morpholin-4-ylpropan-2-ol;oxalic acid?
The IUPAC name of 1-(2,3-dimethylindol-1-yl)-3-morpholin-4-ylpropan-2-ol;oxalic acid (CID 653631) is 1-(2,3-dimethylindol-1-yl)-3-morpholin-4-ylpropan-2-ol;oxalic acid.
What is the SMILES notation for 1-(2,3-dimethylindol-1-yl)-3-morpholin-4-ylpropan-2-ol;oxalic acid?
The canonical SMILES for 1-(2,3-dimethylindol-1-yl)-3-morpholin-4-ylpropan-2-ol;oxalic acid is Cc1c(C)n(CC(O)CN2CCOCC2)c2ccccc12.O=C(O)C(=O)O.
What is the InChIKey of 1-(2,3-dimethylindol-1-yl)-3-morpholin-4-ylpropan-2-ol;oxalic acid?
The InChIKey is FGKPOXRGWBMMBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2.C2H2O4/c1-13-14(2)19(17-6-4-3-5-16(13)17)12-15(20)11-18-7-9-21-10-8-18;3-1(4)2(5)6/h3-6,15,20H,7-12H2,1-2H3;(H,3,4)(H,5,6).
What are the key properties of 1-(2,3-dimethylindol-1-yl)-3-morpholin-4-ylpropan-2-ol;oxalic acid?
1-(2,3-dimethylindol-1-yl)-3-morpholin-4-ylpropan-2-ol;oxalic acid has a molecular weight of 378.43 g/mol, XLogP of 1.11, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylindol-1-yl)-3-morpholin-4-ylpropan-2-ol;oxalic acid is sourced from PubChem (CID 653631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).