(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

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Related Compounds

1-(5-methyl-2,3-diphenylindol-1-yl)-3-piperidin-1-ium-1-ylpropan-2-ol
CID 3592921
1-[bis(2-hydroxyethyl)amino]-3-(5-methyl-2,3-diphenylindol-1-yl)propan-2-ol
CID 4301414
(2S)-1-(cyclopentylamino)-3-(5-methyl-2,3-diphenylindol-1-yl)propan-2-ol
CID 7124980
1-[2-hydroxy-3-(5-methyl-2,3-diphenylindol-1-yl)propyl]-4,6-dimethylpyrimidin-2-one
CID 4046155
10-[(2S)-2-hydroxy-3-morpholin-4-ium-4-ylpropyl]acridin-9-one
CID 7337905
(2R)-1-(benzimidazol-1-yl)-3-morpholin-4-ium-4-ylpropan-2-ol
CID 7305267
1-carbazol-9-yl-3-[4-(4-methylphenyl)piperazin-1-ium-1-yl]propan-2-ol
CID 3453566
(2R)-1-[2-(4-methoxyphenyl)indol-1-yl]-3-morpholin-4-ium-4-ylpropan-2-ol
CID 6963876
(2R)-1-(4-methylpiperidin-1-ium-1-yl)-3-(6-methyl-1,2,3,4-tetrahydrocarbazol-9-yl)propan-2-ol
CID 6957406
hydron;1-morpholin-4-yl-3-(2,3,5-trimethylindol-1-yl)propan-2-ol;chloride
CID 648761
N-[(2S)-2-hydroxy-3-morpholin-4-ium-4-ylpropyl]-N-(4-methylphenyl)benzenesulfonamide
CID 1390099
N-(2-hydroxy-3-morpholin-4-ium-4-ylpropyl)-N-(4-methylphenyl)benzenesulfonamide
CID 4040881

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).