3-cyclohexyl-1-[2-[2-(diethylaminomethyl)morpholin-4-yl]-2-oxoethyl]-2-(4-methoxyphenyl)indole-6-carboxylic acid

C33H43N3O5 — CID 6480936

IUPAC3-cyclohexyl-1-[2-[2-(diethylaminomethyl)morpholin-4-yl]-2-oxoethyl]-2-(4-methoxyphenyl)indole-6-carboxylic acid
SMILESCCN(CC)CC1CN(C(=O)Cn2c(-c3ccc(OC)cc3)c(C3CCCCC3)c3ccc(C(=O)O)cc32)CCO1
InChIInChI=1S/C33H43N3O5/c1-4-34(5-2)20-27-21-35(17-18-41-27)30(37)22-36-29-19-25(33(38)39)13-16-28(29)31(23-9-7-6-8-10-23)32(36)24-11-14-26(40-3)15-12-24/h11-16,19,23,27H,4-10,17-18,20-22H2,1-3H3,(H,38,39)
InChIKeyGQICWVPXBLZMOB-UHFFFAOYSA-N
MW561.72 g/mol
LogP5.63
Rot. Bonds10

About 3-cyclohexyl-1-[2-[2-(diethylaminomethyl)morpholin-4-yl]-2-oxoethyl]-2-(4-methoxyphenyl)indole-6-carboxylic acid

3-cyclohexyl-1-[2-[2-(diethylaminomethyl)morpholin-4-yl]-2-oxoethyl]-2-(4-methoxyphenyl)indole-6-carboxylic acid (PubChem CID 6480936) has the molecular formula C33H43N3O5 and a molecular weight of 561.72 g/mol. Its IUPAC name is 3-cyclohexyl-1-[2-[2-(diethylaminomethyl)morpholin-4-yl]-2-oxoethyl]-2-(4-methoxyphenyl)indole-6-carboxylic acid.

Molecular Properties

Compound Name3-cyclohexyl-1-[2-[2-(diethylaminomethyl)morpholin-4-yl]-2-oxoethyl]-2-(4-methoxyphenyl)indole-6-carboxylic acid
PubChem CID6480936
Molecular FormulaC33H43N3O5
Molecular Weight561.72 g/mol
Exact Mass561.32
IUPAC Name3-cyclohexyl-1-[2-[2-(diethylaminomethyl)morpholin-4-yl]-2-oxoethyl]-2-(4-methoxyphenyl)indole-6-carboxylic acid
SMILESCCN(CC)CC1CN(C(=O)Cn2c(-c3ccc(OC)cc3)c(C3CCCCC3)c3ccc(C(=O)O)cc32)CCO1
InChIInChI=1S/C33H43N3O5/c1-4-34(5-2)20-27-21-35(17-18-41-27)30(37)22-36-29-19-25(33(38)39)13-16-28(29)31(23-9-7-6-8-10-23)32(36)24-11-14-26(40-3)15-12-24/h11-16,19,23,27H,4-10,17-18,20-22H2,1-3H3,(H,38,39)
InChIKeyGQICWVPXBLZMOB-UHFFFAOYSA-N
XLogP5.63
TPSA84.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500561.72
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-cyclohexyl-1-[2-[2-(diethylaminomethyl)morpholin-4-yl]-2-oxoethyl]-2-(4-methoxyphenyl)indole-6-carboxylic acid 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 3-cyclohexyl-1-[2-[2-(diethylaminomethyl)morpholin-4-yl]-2-oxoethyl]-2-(4-methoxyphenyl)indole-6-carboxylic acid?
The IUPAC name of 3-cyclohexyl-1-[2-[2-(diethylaminomethyl)morpholin-4-yl]-2-oxoethyl]-2-(4-methoxyphenyl)indole-6-carboxylic acid (CID 6480936) is 3-cyclohexyl-1-[2-[2-(diethylaminomethyl)morpholin-4-yl]-2-oxoethyl]-2-(4-methoxyphenyl)indole-6-carboxylic acid.
What is the SMILES notation for 3-cyclohexyl-1-[2-[2-(diethylaminomethyl)morpholin-4-yl]-2-oxoethyl]-2-(4-methoxyphenyl)indole-6-carboxylic acid?
The canonical SMILES for 3-cyclohexyl-1-[2-[2-(diethylaminomethyl)morpholin-4-yl]-2-oxoethyl]-2-(4-methoxyphenyl)indole-6-carboxylic acid is CCN(CC)CC1CN(C(=O)Cn2c(-c3ccc(OC)cc3)c(C3CCCCC3)c3ccc(C(=O)O)cc32)CCO1.
What is the InChIKey of 3-cyclohexyl-1-[2-[2-(diethylaminomethyl)morpholin-4-yl]-2-oxoethyl]-2-(4-methoxyphenyl)indole-6-carboxylic acid?
The InChIKey is GQICWVPXBLZMOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H43N3O5/c1-4-34(5-2)20-27-21-35(17-18-41-27)30(37)22-36-29-19-25(33(38)39)13-16-28(29)31(23-9-7-6-8-10-23)32(36)24-11-14-26(40-3)15-12-24/h11-16,19,23,27H,4-10,17-18,20-22H2,1-3H3,(H,38,39).
What are the key properties of 3-cyclohexyl-1-[2-[2-(diethylaminomethyl)morpholin-4-yl]-2-oxoethyl]-2-(4-methoxyphenyl)indole-6-carboxylic acid?
3-cyclohexyl-1-[2-[2-(diethylaminomethyl)morpholin-4-yl]-2-oxoethyl]-2-(4-methoxyphenyl)indole-6-carboxylic acid has a molecular weight of 561.72 g/mol, XLogP of 5.63, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-1-[2-[2-(diethylaminomethyl)morpholin-4-yl]-2-oxoethyl]-2-(4-methoxyphenyl)indole-6-carboxylic acid is sourced from PubChem (CID 6480936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).