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

C36H37N3O3 — CID 141146520

IUPAC2-[3-cyclohexyl-2-[2-(3-methoxyphenyl)quinolin-6-yl]indol-1-yl]-1-morpholin-4-ylethanone
SMILESCOc1cccc(-c2ccc3cc(-c4c(C5CCCCC5)c5ccccc5n4CC(=O)N4CCOCC4)ccc3n2)c1
InChIInChI=1S/C36H37N3O3/c1-41-29-11-7-10-26(23-29)31-16-14-27-22-28(15-17-32(27)37-31)36-35(25-8-3-2-4-9-25)30-12-5-6-13-33(30)39(36)24-34(40)38-18-20-42-21-19-38/h5-7,10-17,22-23,25H,2-4,8-9,18-21,24H2,1H3
InChIKeyVJHLKYXWRJLGKJ-UHFFFAOYSA-N
MW559.71 g/mol
LogP7.44
Rot. Bonds6

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

2-[3-cyclohexyl-2-[2-(3-methoxyphenyl)quinolin-6-yl]indol-1-yl]-1-morpholin-4-ylethanone (PubChem CID 141146520) has the molecular formula C36H37N3O3 and a molecular weight of 559.71 g/mol. Its IUPAC name is 2-[3-cyclohexyl-2-[2-(3-methoxyphenyl)quinolin-6-yl]indol-1-yl]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[3-cyclohexyl-2-[2-(3-methoxyphenyl)quinolin-6-yl]indol-1-yl]-1-morpholin-4-ylethanone
PubChem CID141146520
Molecular FormulaC36H37N3O3
Molecular Weight559.71 g/mol
Exact Mass559.28
IUPAC Name2-[3-cyclohexyl-2-[2-(3-methoxyphenyl)quinolin-6-yl]indol-1-yl]-1-morpholin-4-ylethanone
SMILESCOc1cccc(-c2ccc3cc(-c4c(C5CCCCC5)c5ccccc5n4CC(=O)N4CCOCC4)ccc3n2)c1
InChIInChI=1S/C36H37N3O3/c1-41-29-11-7-10-26(23-29)31-16-14-27-22-28(15-17-32(27)37-31)36-35(25-8-3-2-4-9-25)30-12-5-6-13-33(30)39(36)24-34(40)38-18-20-42-21-19-38/h5-7,10-17,22-23,25H,2-4,8-9,18-21,24H2,1H3
InChIKeyVJHLKYXWRJLGKJ-UHFFFAOYSA-N
XLogP7.44
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500559.71
LogP ≤ 57.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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Related Compounds

2-[3-cyclohexyl-2-[2-(3,4-dimethylphenyl)quinolin-6-yl]indol-1-yl]-1-morpholin-4-ylethanone
CID 141146487
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
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
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
5-[2-(4-methoxyphenyl)quinolin-6-yl]-4-(2-oxo-2-piperidin-1-ylethyl)-6-phenylthieno[3,2-b]pyrrole-2-carboxylic acid
CID 69224965
[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
3-cyclohexyl-1-(2-morpholin-4-yl-2-oxoethyl)-2-(6-phenylnaphthalen-2-yl)indole-6-carboxylic acid;methyl 3-cyclohexyl-2-(6-hydroxynaphthalen-2-yl)-1-(2-morpholin-4-yl-2-oxoethyl)indole-6-carboxylate;methyl 3-cyclohexyl-1-(2-morpholin-4-yl-2-oxoethyl)-2-[6-(trifluoromethylsulfonyloxy)naphthalen-2-yl]indole-6-carboxylate
CID 158184456
2-[3-cyclohexyl-2-[4-(2-fluoro-3-pyridinyl)phenyl]indol-1-yl]-1-morpholin-4-ylethanone
CID 141146536
6-cyclohexyl-5-[2-[3-(1,1-difluoroprop-2-enoxy)phenyl]quinolin-6-yl]-4-[(3-methoxyphenyl)methyl]thieno[3,2-b]pyrrole-2-carboxylic acid
CID 143611942
[6-cyclohexyl-5-(4-methoxyphenyl)-4-(2-morpholin-4-yl-2-oxoethyl)thieno[3,2-b]pyrrol-2-yl] hydrogen carbonate
CID 69365422
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

Frequently Asked Questions

What is the IUPAC name of 2-[3-cyclohexyl-2-[2-(3-methoxyphenyl)quinolin-6-yl]indol-1-yl]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[3-cyclohexyl-2-[2-(3-methoxyphenyl)quinolin-6-yl]indol-1-yl]-1-morpholin-4-ylethanone (CID 141146520) is 2-[3-cyclohexyl-2-[2-(3-methoxyphenyl)quinolin-6-yl]indol-1-yl]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[3-cyclohexyl-2-[2-(3-methoxyphenyl)quinolin-6-yl]indol-1-yl]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[3-cyclohexyl-2-[2-(3-methoxyphenyl)quinolin-6-yl]indol-1-yl]-1-morpholin-4-ylethanone is COc1cccc(-c2ccc3cc(-c4c(C5CCCCC5)c5ccccc5n4CC(=O)N4CCOCC4)ccc3n2)c1.
What is the InChIKey of 2-[3-cyclohexyl-2-[2-(3-methoxyphenyl)quinolin-6-yl]indol-1-yl]-1-morpholin-4-ylethanone?
The InChIKey is VJHLKYXWRJLGKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H37N3O3/c1-41-29-11-7-10-26(23-29)31-16-14-27-22-28(15-17-32(27)37-31)36-35(25-8-3-2-4-9-25)30-12-5-6-13-33(30)39(36)24-34(40)38-18-20-42-21-19-38/h5-7,10-17,22-23,25H,2-4,8-9,18-21,24H2,1H3.
What are the key properties of 2-[3-cyclohexyl-2-[2-(3-methoxyphenyl)quinolin-6-yl]indol-1-yl]-1-morpholin-4-ylethanone?
2-[3-cyclohexyl-2-[2-(3-methoxyphenyl)quinolin-6-yl]indol-1-yl]-1-morpholin-4-ylethanone has a molecular weight of 559.71 g/mol, XLogP of 7.44, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-cyclohexyl-2-[2-(3-methoxyphenyl)quinolin-6-yl]indol-1-yl]-1-morpholin-4-ylethanone is sourced from PubChem (CID 141146520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).