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

C35H36N4O2 — CID 141146476

IUPAC2-[3-cyclohexyl-2-[2-(4-methyl-2-pyridinyl)quinolin-6-yl]indol-1-yl]-1-morpholin-4-ylethanone
SMILESCc1ccnc(-c2ccc3cc(-c4c(C5CCCCC5)c5ccccc5n4CC(=O)N4CCOCC4)ccc3n2)c1
InChIInChI=1S/C35H36N4O2/c1-24-15-16-36-31(21-24)30-14-11-26-22-27(12-13-29(26)37-30)35-34(25-7-3-2-4-8-25)28-9-5-6-10-32(28)39(35)23-33(40)38-17-19-41-20-18-38/h5-6,9-16,21-22,25H,2-4,7-8,17-20,23H2,1H3
InChIKeyHFDHRMDXNVFXDV-UHFFFAOYSA-N
MW544.70 g/mol
LogP7.13
Rot. Bonds5

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

2-[3-cyclohexyl-2-[2-(4-methyl-2-pyridinyl)quinolin-6-yl]indol-1-yl]-1-morpholin-4-ylethanone (PubChem CID 141146476) has the molecular formula C35H36N4O2 and a molecular weight of 544.70 g/mol. Its IUPAC name is 2-[3-cyclohexyl-2-[2-(4-methyl-2-pyridinyl)quinolin-6-yl]indol-1-yl]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[3-cyclohexyl-2-[2-(4-methyl-2-pyridinyl)quinolin-6-yl]indol-1-yl]-1-morpholin-4-ylethanone
PubChem CID141146476
Molecular FormulaC35H36N4O2
Molecular Weight544.70 g/mol
Exact Mass544.28
IUPAC Name2-[3-cyclohexyl-2-[2-(4-methyl-2-pyridinyl)quinolin-6-yl]indol-1-yl]-1-morpholin-4-ylethanone
SMILESCc1ccnc(-c2ccc3cc(-c4c(C5CCCCC5)c5ccccc5n4CC(=O)N4CCOCC4)ccc3n2)c1
InChIInChI=1S/C35H36N4O2/c1-24-15-16-36-31(21-24)30-14-11-26-22-27(12-13-29(26)37-30)35-34(25-7-3-2-4-8-25)28-9-5-6-10-32(28)39(35)23-33(40)38-17-19-41-20-18-38/h5-6,9-16,21-22,25H,2-4,7-8,17-20,23H2,1H3
InChIKeyHFDHRMDXNVFXDV-UHFFFAOYSA-N
XLogP7.13
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500544.70
LogP ≤ 57.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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Launch Full Analysis

Related Compounds

1-(5-Isoquinolin-4-ylindol-1-yl)ethanone
CID 73442767
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
2,5-Dimethyl-3-(4-quinolinyl)-1h-indole-1-acetic acid
CID 10065219
(2,5-Dimethyl-3-(8-methyl-4-quinolinyl)-1H-indol-1-yl)acetic acid
CID 10337564
1-(4-((4-methylpiperazin-1-yl)methyl)phenyl)-9-(quinolin-3-yl)benzo[h][1,6]naphthyridin-2(1H)-one
CID 46190794
1-(4-(1-(2-morpholinoacetyl)piperidin-4-yl)-3-(trifluoromethyl)phenyl)-9-(quinolin-3-yl)benzo[h][1,6]naphthyridin-2(1H)-one
CID 49781044
4-(3,3-Dimethyl-6-(4-morpholinyl)-2,3-dihydro-1H-indol-1-yl)-7-fluoro-3-methyl-2-(2-pyridinyl)quinoline
CID 67284779
4-(3,3-Dimethyl-6-(4-morpholinyl)-2,3-dihydro-1H-indol-1-yl)-5-fluoro-3-methyl-2-(2-pyridinyl)quinoline
CID 67285093
QL-Xii-44
CID 73602845
QL-Xii-91
CID 118346184
4-ethyl-N-[4-[1-(2-methoxyethyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]phenyl]piperazine-1-carboxamide
CID 163286314

Frequently Asked Questions

What is the IUPAC name of 2-[3-cyclohexyl-2-[2-(4-methyl-2-pyridinyl)quinolin-6-yl]indol-1-yl]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[3-cyclohexyl-2-[2-(4-methyl-2-pyridinyl)quinolin-6-yl]indol-1-yl]-1-morpholin-4-ylethanone (CID 141146476) is 2-[3-cyclohexyl-2-[2-(4-methyl-2-pyridinyl)quinolin-6-yl]indol-1-yl]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[3-cyclohexyl-2-[2-(4-methyl-2-pyridinyl)quinolin-6-yl]indol-1-yl]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[3-cyclohexyl-2-[2-(4-methyl-2-pyridinyl)quinolin-6-yl]indol-1-yl]-1-morpholin-4-ylethanone is Cc1ccnc(-c2ccc3cc(-c4c(C5CCCCC5)c5ccccc5n4CC(=O)N4CCOCC4)ccc3n2)c1.
What is the InChIKey of 2-[3-cyclohexyl-2-[2-(4-methyl-2-pyridinyl)quinolin-6-yl]indol-1-yl]-1-morpholin-4-ylethanone?
The InChIKey is HFDHRMDXNVFXDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H36N4O2/c1-24-15-16-36-31(21-24)30-14-11-26-22-27(12-13-29(26)37-30)35-34(25-7-3-2-4-8-25)28-9-5-6-10-32(28)39(35)23-33(40)38-17-19-41-20-18-38/h5-6,9-16,21-22,25H,2-4,7-8,17-20,23H2,1H3.
What are the key properties of 2-[3-cyclohexyl-2-[2-(4-methyl-2-pyridinyl)quinolin-6-yl]indol-1-yl]-1-morpholin-4-ylethanone?
2-[3-cyclohexyl-2-[2-(4-methyl-2-pyridinyl)quinolin-6-yl]indol-1-yl]-1-morpholin-4-ylethanone has a molecular weight of 544.70 g/mol, XLogP of 7.13, 5 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-(4-methyl-2-pyridinyl)quinolin-6-yl]indol-1-yl]-1-morpholin-4-ylethanone is sourced from PubChem (CID 141146476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).