3-cyclohexyl-1-(2-morpholin-4-ylethyl)-2-phenylindole-6-carboxylic acid

C27H32N2O3 — CID 5275443

IUPAC3-cyclohexyl-1-(2-morpholin-4-ylethyl)-2-phenylindole-6-carboxylic acid
SMILESO=C(O)c1ccc2c(C3CCCCC3)c(-c3ccccc3)n(CCN3CCOCC3)c2c1
InChIInChI=1S/C27H32N2O3/c30-27(31)22-11-12-23-24(19-22)29(14-13-28-15-17-32-18-16-28)26(21-9-5-2-6-10-21)25(23)20-7-3-1-4-8-20/h2,5-6,9-12,19-20H,1,3-4,7-8,13-18H2,(H,30,31)
InChIKeyPIQDYVXRDTXYLX-UHFFFAOYSA-N
MW432.56 g/mol
LogP5.39
Rot. Bonds6

About 3-cyclohexyl-1-(2-morpholin-4-ylethyl)-2-phenylindole-6-carboxylic acid

3-cyclohexyl-1-(2-morpholin-4-ylethyl)-2-phenylindole-6-carboxylic acid (PubChem CID 5275443) has the molecular formula C27H32N2O3 and a molecular weight of 432.56 g/mol. Its IUPAC name is 3-cyclohexyl-1-(2-morpholin-4-ylethyl)-2-phenylindole-6-carboxylic acid.

Molecular Properties

Compound Name3-cyclohexyl-1-(2-morpholin-4-ylethyl)-2-phenylindole-6-carboxylic acid
PubChem CID5275443
Molecular FormulaC27H32N2O3
Molecular Weight432.56 g/mol
Exact Mass432.24
IUPAC Name3-cyclohexyl-1-(2-morpholin-4-ylethyl)-2-phenylindole-6-carboxylic acid
SMILESO=C(O)c1ccc2c(C3CCCCC3)c(-c3ccccc3)n(CCN3CCOCC3)c2c1
InChIInChI=1S/C27H32N2O3/c30-27(31)22-11-12-23-24(19-22)29(14-13-28-15-17-32-18-16-28)26(21-9-5-2-6-10-21)25(23)20-7-3-1-4-8-20/h2,5-6,9-12,19-20H,1,3-4,7-8,13-18H2,(H,30,31)
InChIKeyPIQDYVXRDTXYLX-UHFFFAOYSA-N
XLogP5.39
TPSA54.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.56
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-1-(2-morpholin-4-ylethyl)-2-phenylindole-6-carboxylic acid?
The IUPAC name of 3-cyclohexyl-1-(2-morpholin-4-ylethyl)-2-phenylindole-6-carboxylic acid (CID 5275443) is 3-cyclohexyl-1-(2-morpholin-4-ylethyl)-2-phenylindole-6-carboxylic acid.
What is the SMILES notation for 3-cyclohexyl-1-(2-morpholin-4-ylethyl)-2-phenylindole-6-carboxylic acid?
The canonical SMILES for 3-cyclohexyl-1-(2-morpholin-4-ylethyl)-2-phenylindole-6-carboxylic acid is O=C(O)c1ccc2c(C3CCCCC3)c(-c3ccccc3)n(CCN3CCOCC3)c2c1.
What is the InChIKey of 3-cyclohexyl-1-(2-morpholin-4-ylethyl)-2-phenylindole-6-carboxylic acid?
The InChIKey is PIQDYVXRDTXYLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N2O3/c30-27(31)22-11-12-23-24(19-22)29(14-13-28-15-17-32-18-16-28)26(21-9-5-2-6-10-21)25(23)20-7-3-1-4-8-20/h2,5-6,9-12,19-20H,1,3-4,7-8,13-18H2,(H,30,31).
What are the key properties of 3-cyclohexyl-1-(2-morpholin-4-ylethyl)-2-phenylindole-6-carboxylic acid?
3-cyclohexyl-1-(2-morpholin-4-ylethyl)-2-phenylindole-6-carboxylic acid has a molecular weight of 432.56 g/mol, XLogP of 5.39, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-1-(2-morpholin-4-ylethyl)-2-phenylindole-6-carboxylic acid is sourced from PubChem (CID 5275443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).