(2S)-1-(5-methyl-2,3-diphenylindol-1-yl)-3-morpholin-4-ium-4-ylpropan-2-ol

C28H31N2O2+ — CID 6958902

IUPAC(2S)-1-(5-methyl-2,3-diphenylindol-1-yl)-3-morpholin-4-ium-4-ylpropan-2-ol
SMILESCc1ccc2c(c1)c(-c1ccccc1)c(-c1ccccc1)n2C[C@H](O)C[NH+]1CCOCC1
InChIInChI=1S/C28H30N2O2/c1-21-12-13-26-25(18-21)27(22-8-4-2-5-9-22)28(23-10-6-3-7-11-23)30(26)20-24(31)19-29-14-16-32-17-15-29/h2-13,18,24,31H,14-17,19-20H2,1H3/p+1/t24-/m1/s1
InChIKeyBRABMTSFYHWGIO-XMMPIXPASA-O
MW427.57 g/mol
LogP3.56
Rot. Bonds6

About (2S)-1-(5-methyl-2,3-diphenylindol-1-yl)-3-morpholin-4-ium-4-ylpropan-2-ol

(2S)-1-(5-methyl-2,3-diphenylindol-1-yl)-3-morpholin-4-ium-4-ylpropan-2-ol (PubChem CID 6958902) has the molecular formula C28H31N2O2+ and a molecular weight of 427.57 g/mol. Its IUPAC name is (2S)-1-(5-methyl-2,3-diphenylindol-1-yl)-3-morpholin-4-ium-4-ylpropan-2-ol.

Molecular Properties

Compound Name(2S)-1-(5-methyl-2,3-diphenylindol-1-yl)-3-morpholin-4-ium-4-ylpropan-2-ol
PubChem CID6958902
Molecular FormulaC28H31N2O2+
Molecular Weight427.57 g/mol
Exact Mass427.24
IUPAC Name(2S)-1-(5-methyl-2,3-diphenylindol-1-yl)-3-morpholin-4-ium-4-ylpropan-2-ol
SMILESCc1ccc2c(c1)c(-c1ccccc1)c(-c1ccccc1)n2C[C@H](O)C[NH+]1CCOCC1
InChIInChI=1S/C28H30N2O2/c1-21-12-13-26-25(18-21)27(22-8-4-2-5-9-22)28(23-10-6-3-7-11-23)30(26)20-24(31)19-29-14-16-32-17-15-29/h2-13,18,24,31H,14-17,19-20H2,1H3/p+1/t24-/m1/s1
InChIKeyBRABMTSFYHWGIO-XMMPIXPASA-O
XLogP3.56
TPSA38.83 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.57
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S)-1-(5-methyl-2,3-diphenylindol-1-yl)-3-morpholin-4-ium-4-ylpropan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(5-methyl-2,3-diphenylindol-1-yl)-3-morpholin-4-ium-4-ylpropan-2-ol?
The IUPAC name of (2S)-1-(5-methyl-2,3-diphenylindol-1-yl)-3-morpholin-4-ium-4-ylpropan-2-ol (CID 6958902) is (2S)-1-(5-methyl-2,3-diphenylindol-1-yl)-3-morpholin-4-ium-4-ylpropan-2-ol.
What is the SMILES notation for (2S)-1-(5-methyl-2,3-diphenylindol-1-yl)-3-morpholin-4-ium-4-ylpropan-2-ol?
The canonical SMILES for (2S)-1-(5-methyl-2,3-diphenylindol-1-yl)-3-morpholin-4-ium-4-ylpropan-2-ol is Cc1ccc2c(c1)c(-c1ccccc1)c(-c1ccccc1)n2C[C@H](O)C[NH+]1CCOCC1.
What is the InChIKey of (2S)-1-(5-methyl-2,3-diphenylindol-1-yl)-3-morpholin-4-ium-4-ylpropan-2-ol?
The InChIKey is BRABMTSFYHWGIO-XMMPIXPASA-O. The full InChI is InChI=1S/C28H30N2O2/c1-21-12-13-26-25(18-21)27(22-8-4-2-5-9-22)28(23-10-6-3-7-11-23)30(26)20-24(31)19-29-14-16-32-17-15-29/h2-13,18,24,31H,14-17,19-20H2,1H3/p+1/t24-/m1/s1.
What are the key properties of (2S)-1-(5-methyl-2,3-diphenylindol-1-yl)-3-morpholin-4-ium-4-ylpropan-2-ol?
(2S)-1-(5-methyl-2,3-diphenylindol-1-yl)-3-morpholin-4-ium-4-ylpropan-2-ol has a molecular weight of 427.57 g/mol, XLogP of 3.56, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(5-methyl-2,3-diphenylindol-1-yl)-3-morpholin-4-ium-4-ylpropan-2-ol is sourced from PubChem (CID 6958902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).