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

C36H37N3O2 — CID 141146515

IUPAC2-[3-cyclohexyl-2-[2-(3-methylphenyl)quinolin-6-yl]indol-1-yl]-1-morpholin-4-ylethanone
SMILESCc1cccc(-c2ccc3cc(-c4c(C5CCCCC5)c5ccccc5n4CC(=O)N4CCOCC4)ccc3n2)c1
InChIInChI=1S/C36H37N3O2/c1-25-8-7-11-27(22-25)31-16-14-28-23-29(15-17-32(28)37-31)36-35(26-9-3-2-4-10-26)30-12-5-6-13-33(30)39(36)24-34(40)38-18-20-41-21-19-38/h5-8,11-17,22-23,26H,2-4,9-10,18-21,24H2,1H3
InChIKeyCCVPVHXNNMILDF-UHFFFAOYSA-N
MW543.71 g/mol
LogP7.74
Rot. Bonds5

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

2-[3-cyclohexyl-2-[2-(3-methylphenyl)quinolin-6-yl]indol-1-yl]-1-morpholin-4-ylethanone (PubChem CID 141146515) has the molecular formula C36H37N3O2 and a molecular weight of 543.71 g/mol. Its IUPAC name is 2-[3-cyclohexyl-2-[2-(3-methylphenyl)quinolin-6-yl]indol-1-yl]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[3-cyclohexyl-2-[2-(3-methylphenyl)quinolin-6-yl]indol-1-yl]-1-morpholin-4-ylethanone
PubChem CID141146515
Molecular FormulaC36H37N3O2
Molecular Weight543.71 g/mol
Exact Mass543.29
IUPAC Name2-[3-cyclohexyl-2-[2-(3-methylphenyl)quinolin-6-yl]indol-1-yl]-1-morpholin-4-ylethanone
SMILESCc1cccc(-c2ccc3cc(-c4c(C5CCCCC5)c5ccccc5n4CC(=O)N4CCOCC4)ccc3n2)c1
InChIInChI=1S/C36H37N3O2/c1-25-8-7-11-27(22-25)31-16-14-28-23-29(15-17-32(28)37-31)36-35(26-9-3-2-4-10-26)30-12-5-6-13-33(30)39(36)24-34(40)38-18-20-41-21-19-38/h5-8,11-17,22-23,26H,2-4,9-10,18-21,24H2,1H3
InChIKeyCCVPVHXNNMILDF-UHFFFAOYSA-N
XLogP7.74
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500543.71
LogP ≤ 57.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

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Launch Full Analysis

Related Compounds

1-(8-Methyl-1,2,3a,4,5,6-hexahydro-pyrazino[3,2,1-jk]carbazol-3-yl)-ethanone
CID 2829167
Morpholine, 4-((2-phenyl-1H-indol-1-yl)acetyl)-
CID 381976
Cambridge id 7354412
CID 2185058
1-(8-Methyl-1,2,3a,4,5,6-hexahydro-pyrazino[3,2,1-jk]carbazol-3-yl)-2-(4-methyl-piperazin-1-yl)-ethanone
CID 645852
1-(8-cyclohexyl-3a,4,5,6-tetrahydro-1H-pyrazino[3,2,1-jk]carbazol-3(2H)-yl)-2-(4-methylpiperazin-1-yl)ethanone
CID 3103803
1-Carbazol-9-yl-2-morpholin-4-yl-ethanone
CID 654866
2-(2,6-dimethylmorpholin-4-yl)-1-(8-methyl-1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indol-2-yl)ethanone
CID 660702
3-acetyl-8-methyl-2,3-dihydro-1H-pyrazino[3,2,1-jk]carbazole
CID 1736277
2-[[2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 2521087
1-(4-Benzyl-piperazin-1-yl)-3-(5-methyl-2,3-diphenyl-indol-1-yl)-propan-2-ol
CID 2855218
4-[2-(5,11-Dimethylpyrido[4,3-b]carbazol-6-yl)ethyl]morpholine
CID 44275836
2-(2,5-dimethyl-3-(2-methylquinolin-4-yl)-1H-indol-1-yl)acetic acid
CID 44414758

Frequently Asked Questions

What is the IUPAC name of 2-[3-cyclohexyl-2-[2-(3-methylphenyl)quinolin-6-yl]indol-1-yl]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[3-cyclohexyl-2-[2-(3-methylphenyl)quinolin-6-yl]indol-1-yl]-1-morpholin-4-ylethanone (CID 141146515) is 2-[3-cyclohexyl-2-[2-(3-methylphenyl)quinolin-6-yl]indol-1-yl]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[3-cyclohexyl-2-[2-(3-methylphenyl)quinolin-6-yl]indol-1-yl]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[3-cyclohexyl-2-[2-(3-methylphenyl)quinolin-6-yl]indol-1-yl]-1-morpholin-4-ylethanone is Cc1cccc(-c2ccc3cc(-c4c(C5CCCCC5)c5ccccc5n4CC(=O)N4CCOCC4)ccc3n2)c1.
What is the InChIKey of 2-[3-cyclohexyl-2-[2-(3-methylphenyl)quinolin-6-yl]indol-1-yl]-1-morpholin-4-ylethanone?
The InChIKey is CCVPVHXNNMILDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H37N3O2/c1-25-8-7-11-27(22-25)31-16-14-28-23-29(15-17-32(28)37-31)36-35(26-9-3-2-4-10-26)30-12-5-6-13-33(30)39(36)24-34(40)38-18-20-41-21-19-38/h5-8,11-17,22-23,26H,2-4,9-10,18-21,24H2,1H3.
What are the key properties of 2-[3-cyclohexyl-2-[2-(3-methylphenyl)quinolin-6-yl]indol-1-yl]-1-morpholin-4-ylethanone?
2-[3-cyclohexyl-2-[2-(3-methylphenyl)quinolin-6-yl]indol-1-yl]-1-morpholin-4-ylethanone has a molecular weight of 543.71 g/mol, XLogP of 7.74, 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-methylphenyl)quinolin-6-yl]indol-1-yl]-1-morpholin-4-ylethanone is sourced from PubChem (CID 141146515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).