[5-hydroxy-1-(2-morpholin-4-ylethyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone

C22H30N2O3 — CID 24768500

IUPAC[5-hydroxy-1-(2-morpholin-4-ylethyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone
SMILESCC1(C)C(C(=O)c2cn(CCN3CCOCC3)c3ccc(O)cc23)C1(C)C
InChIInChI=1S/C22H30N2O3/c1-21(2)20(22(21,3)4)19(26)17-14-24(8-7-23-9-11-27-12-10-23)18-6-5-15(25)13-16(17)18/h5-6,13-14,20,25H,7-12H2,1-4H3
InChIKeyKPXCICWDVOJCEZ-UHFFFAOYSA-N
MW370.49 g/mol
LogP3.54
Rot. Bonds5

About [5-hydroxy-1-(2-morpholin-4-ylethyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone

[5-hydroxy-1-(2-morpholin-4-ylethyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone (PubChem CID 24768500) has the molecular formula C22H30N2O3 and a molecular weight of 370.49 g/mol. Its IUPAC name is [5-hydroxy-1-(2-morpholin-4-ylethyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone.

Molecular Properties

Compound Name[5-hydroxy-1-(2-morpholin-4-ylethyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone
PubChem CID24768500
Molecular FormulaC22H30N2O3
Molecular Weight370.49 g/mol
Exact Mass370.23
IUPAC Name[5-hydroxy-1-(2-morpholin-4-ylethyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone
SMILESCC1(C)C(C(=O)c2cn(CCN3CCOCC3)c3ccc(O)cc23)C1(C)C
InChIInChI=1S/C22H30N2O3/c1-21(2)20(22(21,3)4)19(26)17-14-24(8-7-23-9-11-27-12-10-23)18-6-5-15(25)13-16(17)18/h5-6,13-14,20,25H,7-12H2,1-4H3
InChIKeyKPXCICWDVOJCEZ-UHFFFAOYSA-N
XLogP3.54
TPSA54.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.49
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-hydroxy-1-(2-morpholin-4-ylethyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone?
The IUPAC name of [5-hydroxy-1-(2-morpholin-4-ylethyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone (CID 24768500) is [5-hydroxy-1-(2-morpholin-4-ylethyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone.
What is the SMILES notation for [5-hydroxy-1-(2-morpholin-4-ylethyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone?
The canonical SMILES for [5-hydroxy-1-(2-morpholin-4-ylethyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone is CC1(C)C(C(=O)c2cn(CCN3CCOCC3)c3ccc(O)cc23)C1(C)C.
What is the InChIKey of [5-hydroxy-1-(2-morpholin-4-ylethyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone?
The InChIKey is KPXCICWDVOJCEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O3/c1-21(2)20(22(21,3)4)19(26)17-14-24(8-7-23-9-11-27-12-10-23)18-6-5-15(25)13-16(17)18/h5-6,13-14,20,25H,7-12H2,1-4H3.
What are the key properties of [5-hydroxy-1-(2-morpholin-4-ylethyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone?
[5-hydroxy-1-(2-morpholin-4-ylethyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone has a molecular weight of 370.49 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-hydroxy-1-(2-morpholin-4-ylethyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone is sourced from PubChem (CID 24768500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).