[6-chloro-1-(oxan-4-ylmethyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone

C22H28ClNO2 — CID 11646462

IUPAC[6-chloro-1-(oxan-4-ylmethyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone
SMILESCC1(C)C(C(=O)c2cn(CC3CCOCC3)c3cc(Cl)ccc23)C1(C)C
InChIInChI=1S/C22H28ClNO2/c1-21(2)20(22(21,3)4)19(25)17-13-24(12-14-7-9-26-10-8-14)18-11-15(23)5-6-16(17)18/h5-6,11,13-14,20H,7-10,12H2,1-4H3
InChIKeyDTYTWKJDMYXMFQ-UHFFFAOYSA-N
MW373.92 g/mol
LogP5.59
Rot. Bonds4

About [6-chloro-1-(oxan-4-ylmethyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone

[6-chloro-1-(oxan-4-ylmethyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone (PubChem CID 11646462) has the molecular formula C22H28ClNO2 and a molecular weight of 373.92 g/mol. Its IUPAC name is [6-chloro-1-(oxan-4-ylmethyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone.

Molecular Properties

Compound Name[6-chloro-1-(oxan-4-ylmethyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone
PubChem CID11646462
Molecular FormulaC22H28ClNO2
Molecular Weight373.92 g/mol
Exact Mass373.18
IUPAC Name[6-chloro-1-(oxan-4-ylmethyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone
SMILESCC1(C)C(C(=O)c2cn(CC3CCOCC3)c3cc(Cl)ccc23)C1(C)C
InChIInChI=1S/C22H28ClNO2/c1-21(2)20(22(21,3)4)19(25)17-13-24(12-14-7-9-26-10-8-14)18-11-15(23)5-6-16(17)18/h5-6,11,13-14,20H,7-10,12H2,1-4H3
InChIKeyDTYTWKJDMYXMFQ-UHFFFAOYSA-N
XLogP5.59
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.92
LogP ≤ 55.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [6-chloro-1-(oxan-4-ylmethyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone with MolForge

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Related Compounds

Xlr 11
CID 57501498
(1-(2-(4-Morpholinyl)ethyl)-1H-indol-3-yl)(2,2,3,3-tetramethylcyclopropyl)methanone
CID 11584525
(1-pentyl-1H-indol-3-yl)(2,2,3,3-tetramethylcyclopropyl)methanone
CID 44626619
Jwh 203
CID 44397500
(1-((Tetrahydro-2H-pyran-4-yl)methyl)-1H-indol-3-yl)(2,2,3,3-tetramethylcyclopropyl)methanone
CID 11544639
2-(4-chlorophenyl)-1-(1-pentyl-1H-indol-3-yl)ethanone
CID 44397532
[1-[(1-Methylpiperidin-2-yl)methyl]indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 11537652
Fub-144
CID 118796439
Oncrasin 1
CID 872445
UR-144 N-5-hydroxypentyl
CID 11515395
6-methyl-1-(oxan-4-ylmethyl)-3-[(2,2,3,3-tetramethylcyclopropyl)carbonyl]-1H-indole
CID 11559434
6-bromo-1-(oxan-4-ylmethyl)-3-[(2,2,3,3-tetramethylcyclopropyl)carbonyl]-1H-indole
CID 24768492

Frequently Asked Questions

What is the IUPAC name of [6-chloro-1-(oxan-4-ylmethyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone?
The IUPAC name of [6-chloro-1-(oxan-4-ylmethyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone (CID 11646462) is [6-chloro-1-(oxan-4-ylmethyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone.
What is the SMILES notation for [6-chloro-1-(oxan-4-ylmethyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone?
The canonical SMILES for [6-chloro-1-(oxan-4-ylmethyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone is CC1(C)C(C(=O)c2cn(CC3CCOCC3)c3cc(Cl)ccc23)C1(C)C.
What is the InChIKey of [6-chloro-1-(oxan-4-ylmethyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone?
The InChIKey is DTYTWKJDMYXMFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28ClNO2/c1-21(2)20(22(21,3)4)19(25)17-13-24(12-14-7-9-26-10-8-14)18-11-15(23)5-6-16(17)18/h5-6,11,13-14,20H,7-10,12H2,1-4H3.
What are the key properties of [6-chloro-1-(oxan-4-ylmethyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone?
[6-chloro-1-(oxan-4-ylmethyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone has a molecular weight of 373.92 g/mol, XLogP of 5.59, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-chloro-1-(oxan-4-ylmethyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone is sourced from PubChem (CID 11646462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).