2-[3-cyclohexyl-2-[2-(3,4-dimethylphenyl)quinolin-6-yl]indol-1-yl]-1-morpholin-4-ylethanone

C37H39N3O2 — CID 141146487

IUPAC2-[3-cyclohexyl-2-[2-(3,4-dimethylphenyl)quinolin-6-yl]indol-1-yl]-1-morpholin-4-ylethanone
SMILESCc1ccc(-c2ccc3cc(-c4c(C5CCCCC5)c5ccccc5n4CC(=O)N4CCOCC4)ccc3n2)cc1C
InChIInChI=1S/C37H39N3O2/c1-25-12-13-28(22-26(25)2)32-16-14-29-23-30(15-17-33(29)38-32)37-36(27-8-4-3-5-9-27)31-10-6-7-11-34(31)40(37)24-35(41)39-18-20-42-21-19-39/h6-7,10-17,22-23,27H,3-5,8-9,18-21,24H2,1-2H3
InChIKeyXYXXZKDIGKXBIC-UHFFFAOYSA-N
MW557.74 g/mol
LogP8.05
Rot. Bonds5

About 2-[3-cyclohexyl-2-[2-(3,4-dimethylphenyl)quinolin-6-yl]indol-1-yl]-1-morpholin-4-ylethanone

2-[3-cyclohexyl-2-[2-(3,4-dimethylphenyl)quinolin-6-yl]indol-1-yl]-1-morpholin-4-ylethanone (PubChem CID 141146487) has the molecular formula C37H39N3O2 and a molecular weight of 557.74 g/mol. Its IUPAC name is 2-[3-cyclohexyl-2-[2-(3,4-dimethylphenyl)quinolin-6-yl]indol-1-yl]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[3-cyclohexyl-2-[2-(3,4-dimethylphenyl)quinolin-6-yl]indol-1-yl]-1-morpholin-4-ylethanone
PubChem CID141146487
Molecular FormulaC37H39N3O2
Molecular Weight557.74 g/mol
Exact Mass557.30
IUPAC Name2-[3-cyclohexyl-2-[2-(3,4-dimethylphenyl)quinolin-6-yl]indol-1-yl]-1-morpholin-4-ylethanone
SMILESCc1ccc(-c2ccc3cc(-c4c(C5CCCCC5)c5ccccc5n4CC(=O)N4CCOCC4)ccc3n2)cc1C
InChIInChI=1S/C37H39N3O2/c1-25-12-13-28(22-26(25)2)32-16-14-29-23-30(15-17-33(29)38-32)37-36(27-8-4-3-5-9-27)31-10-6-7-11-34(31)40(37)24-35(41)39-18-20-42-21-19-39/h6-7,10-17,22-23,27H,3-5,8-9,18-21,24H2,1-2H3
InChIKeyXYXXZKDIGKXBIC-UHFFFAOYSA-N
XLogP8.05
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500557.74
LogP ≤ 58.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[3-cyclohexyl-2-[2-(3,4-dimethylphenyl)quinolin-6-yl]indol-1-yl]-1-morpholin-4-ylethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[3-cyclohexyl-2-[2-(3-methoxyphenyl)quinolin-6-yl]indol-1-yl]-1-morpholin-4-ylethanone
CID 141146520
2-[2-(3-aminophenyl)quinolin-6-yl]-3-cyclohexyl-1-(2-morpholin-4-yl-2-oxoethyl)indole-6-carboxylic acid
CID 58710351
3-cyclohexyl-1-(2-morpholin-4-yl-2-oxoethyl)-2-(2-thiophen-2-ylquinolin-6-yl)indole-6-carboxylic acid
CID 11556067
2-[3-cyclohexyl-2-[2-(2,4-dimethyl-1,3-thiazol-5-yl)quinolin-6-yl]-6-(2H-tetrazol-5-yl)indol-1-yl]-1-morpholin-4-ylethanone
CID 11707210
3-cyclohexyl-2-[2-(2-ethoxy-4-methylpyrimidin-5-yl)quinolin-6-yl]-1-(2-morpholin-4-yl-2-oxoethyl)indole-6-carboxylic acid
CID 11563605
3-cyclohexyl-2-[2-(2,4-dimethyl-1,3-thiazol-5-yl)quinolin-6-yl]-1-(2-morpholin-4-yl-2-oxoethyl)-N-[2-(2H-tetrazol-5-yl)ethyl]indole-6-carboxamide
CID 58710292
2-[3-cyclohexyl-2-[4-(2-fluoro-3-pyridinyl)phenyl]indol-1-yl]-1-morpholin-4-ylethanone
CID 141146536
[3-cyclohexyl-2-[2-(2,4-dimethyl-1,3-thiazol-5-yl)quinolin-6-yl]-1-(2-morpholin-4-yl-2-oxoethyl)indol-6-yl] (2S,3S,4S,5R,6R)-3,4,5,6-tetrahydroxyoxane-2-carboxylate
CID 11563981
6-cyclohexyl-4-[3-(3,7-dimethyloxocan-4-yl)-2-oxopropyl]-5-[2-(3,4-dimethylphenyl)quinolin-6-yl]thieno[3,2-b]pyrrole-2-carboxylic acid
CID 143611936
3-cyclohexyl-2-[2-(2-fluorophenyl)quinoxalin-6-yl]-1-(2-morpholin-4-yl-2-oxoethyl)indole-6-carboxylic acid;3-cyclohexyl-2-[3-(2-fluorophenyl)quinoxalin-6-yl]-1-(2-morpholin-4-yl-2-oxoethyl)indole-6-carboxylic acid
CID 160536635
3-cyclohexyl-2-[2-(2,4-dimethyl-1,3-thiazol-5-yl)quinolin-6-yl]-1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]indole-6-carboxylic acid
CID 11512861
2-[3-cyclohexyl-2-[2-(4-fluorophenyl)quinolin-6-yl]pyrrol-1-yl]-1-morpholin-4-ylethanone
CID 141161227

Frequently Asked Questions

What is the IUPAC name of 2-[3-cyclohexyl-2-[2-(3,4-dimethylphenyl)quinolin-6-yl]indol-1-yl]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[3-cyclohexyl-2-[2-(3,4-dimethylphenyl)quinolin-6-yl]indol-1-yl]-1-morpholin-4-ylethanone (CID 141146487) is 2-[3-cyclohexyl-2-[2-(3,4-dimethylphenyl)quinolin-6-yl]indol-1-yl]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[3-cyclohexyl-2-[2-(3,4-dimethylphenyl)quinolin-6-yl]indol-1-yl]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[3-cyclohexyl-2-[2-(3,4-dimethylphenyl)quinolin-6-yl]indol-1-yl]-1-morpholin-4-ylethanone is Cc1ccc(-c2ccc3cc(-c4c(C5CCCCC5)c5ccccc5n4CC(=O)N4CCOCC4)ccc3n2)cc1C.
What is the InChIKey of 2-[3-cyclohexyl-2-[2-(3,4-dimethylphenyl)quinolin-6-yl]indol-1-yl]-1-morpholin-4-ylethanone?
The InChIKey is XYXXZKDIGKXBIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H39N3O2/c1-25-12-13-28(22-26(25)2)32-16-14-29-23-30(15-17-33(29)38-32)37-36(27-8-4-3-5-9-27)31-10-6-7-11-34(31)40(37)24-35(41)39-18-20-42-21-19-39/h6-7,10-17,22-23,27H,3-5,8-9,18-21,24H2,1-2H3.
What are the key properties of 2-[3-cyclohexyl-2-[2-(3,4-dimethylphenyl)quinolin-6-yl]indol-1-yl]-1-morpholin-4-ylethanone?
2-[3-cyclohexyl-2-[2-(3,4-dimethylphenyl)quinolin-6-yl]indol-1-yl]-1-morpholin-4-ylethanone has a molecular weight of 557.74 g/mol, XLogP of 8.05, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-cyclohexyl-2-[2-(3,4-dimethylphenyl)quinolin-6-yl]indol-1-yl]-1-morpholin-4-ylethanone is sourced from PubChem (CID 141146487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).