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

C36H37N3O2 — CID 141146500

IUPAC2-[3-cyclohexyl-2-[2-(2-methylphenyl)quinolin-6-yl]indol-1-yl]-1-morpholin-4-ylethanone
SMILESCc1ccccc1-c1ccc2cc(-c3c(C4CCCCC4)c4ccccc4n3CC(=O)N3CCOCC3)ccc2n1
InChIInChI=1S/C36H37N3O2/c1-25-9-5-6-12-29(25)32-18-15-27-23-28(16-17-31(27)37-32)36-35(26-10-3-2-4-11-26)30-13-7-8-14-33(30)39(36)24-34(40)38-19-21-41-22-20-38/h5-9,12-18,23,26H,2-4,10-11,19-22,24H2,1H3
InChIKeyBRBSRGMQCXKJCQ-UHFFFAOYSA-N
MW543.71 g/mol
LogP7.74
Rot. Bonds5

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

2-[3-cyclohexyl-2-[2-(2-methylphenyl)quinolin-6-yl]indol-1-yl]-1-morpholin-4-ylethanone (PubChem CID 141146500) has the molecular formula C36H37N3O2 and a molecular weight of 543.71 g/mol. Its IUPAC name is 2-[3-cyclohexyl-2-[2-(2-methylphenyl)quinolin-6-yl]indol-1-yl]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[3-cyclohexyl-2-[2-(2-methylphenyl)quinolin-6-yl]indol-1-yl]-1-morpholin-4-ylethanone
PubChem CID141146500
Molecular FormulaC36H37N3O2
Molecular Weight543.71 g/mol
Exact Mass543.29
IUPAC Name2-[3-cyclohexyl-2-[2-(2-methylphenyl)quinolin-6-yl]indol-1-yl]-1-morpholin-4-ylethanone
SMILESCc1ccccc1-c1ccc2cc(-c3c(C4CCCCC4)c4ccccc4n3CC(=O)N3CCOCC3)ccc2n1
InChIInChI=1S/C36H37N3O2/c1-25-9-5-6-12-29(25)32-18-15-27-23-28(16-17-31(27)37-32)36-35(26-10-3-2-4-11-26)30-13-7-8-14-33(30)39(36)24-34(40)38-19-21-41-22-20-38/h5-9,12-18,23,26H,2-4,10-11,19-22,24H2,1H3
InChIKeyBRBSRGMQCXKJCQ-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-(2-methylphenyl)quinolin-6-yl]indol-1-yl]-1-morpholin-4-ylethanone with MolForge

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Related Compounds

Morpholine, 4-((2-phenyl-1H-indol-1-yl)acetyl)-
CID 381976
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
(E)-3-(8,20-dimethyl-8-aza-20-azoniapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2,4,6,9,11,13,15,17,19-decaen-16-yl)-1-morpholin-4-ylprop-2-en-1-one iodide
CID 10187947
1-Carbazol-9-yl-2-morpholin-4-yl-ethanone
CID 654866
2-[[2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 2521087
4-[2-(5,11-Dimethylpyrido[4,3-b]carbazol-6-yl)ethyl]morpholine
CID 44275836
N,N-diethyl-2-(3-phenylcarbazol-9-yl)acetamide
CID 145971987
(E)-3-[3-(1-methylindol-5-yl)-4-pyridinyl]-1-morpholin-4-ylprop-2-en-1-one
CID 164620995
2-[1-[[3-(4-methylpiperazin-1-yl)propyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]pyrido[3,4-b]indol-9-yl]-1-morpholin-4-ylethanone
CID 59176438
N-(2-aminoethyl)-6-[2-[(E)-2-(9-ethylcarbazol-3-yl)ethenyl]quinolin-1-ium-1-yl]hexanamide
CID 23873199
2-Morpholin-4-yl-1-(1,2,3,4-tetrahydrocarbazol-9-yl)ethanone;hydrochloride
CID 2871322

Frequently Asked Questions

What is the IUPAC name of 2-[3-cyclohexyl-2-[2-(2-methylphenyl)quinolin-6-yl]indol-1-yl]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[3-cyclohexyl-2-[2-(2-methylphenyl)quinolin-6-yl]indol-1-yl]-1-morpholin-4-ylethanone (CID 141146500) is 2-[3-cyclohexyl-2-[2-(2-methylphenyl)quinolin-6-yl]indol-1-yl]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[3-cyclohexyl-2-[2-(2-methylphenyl)quinolin-6-yl]indol-1-yl]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[3-cyclohexyl-2-[2-(2-methylphenyl)quinolin-6-yl]indol-1-yl]-1-morpholin-4-ylethanone is Cc1ccccc1-c1ccc2cc(-c3c(C4CCCCC4)c4ccccc4n3CC(=O)N3CCOCC3)ccc2n1.
What is the InChIKey of 2-[3-cyclohexyl-2-[2-(2-methylphenyl)quinolin-6-yl]indol-1-yl]-1-morpholin-4-ylethanone?
The InChIKey is BRBSRGMQCXKJCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H37N3O2/c1-25-9-5-6-12-29(25)32-18-15-27-23-28(16-17-31(27)37-32)36-35(26-10-3-2-4-11-26)30-13-7-8-14-33(30)39(36)24-34(40)38-19-21-41-22-20-38/h5-9,12-18,23,26H,2-4,10-11,19-22,24H2,1H3.
What are the key properties of 2-[3-cyclohexyl-2-[2-(2-methylphenyl)quinolin-6-yl]indol-1-yl]-1-morpholin-4-ylethanone?
2-[3-cyclohexyl-2-[2-(2-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-(2-methylphenyl)quinolin-6-yl]indol-1-yl]-1-morpholin-4-ylethanone is sourced from PubChem (CID 141146500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).