5-[[4-(6-chloroquinolin-4-yl)-1,4-diazepan-1-yl]methyl]-3-(1-methoxyethyl)-1,2,4-oxadiazole

C20H24ClN5O2 — CID 133337609

IUPAC5-[[4-(6-chloroquinolin-4-yl)-1,4-diazepan-1-yl]methyl]-3-(1-methoxyethyl)-1,2,4-oxadiazole
SMILESCOC(C)c1noc(CN2CCCN(c3ccnc4ccc(Cl)cc34)CC2)n1
InChIInChI=1S/C20H24ClN5O2/c1-14(27-2)20-23-19(28-24-20)13-25-8-3-9-26(11-10-25)18-6-7-22-17-5-4-15(21)12-16(17)18/h4-7,12,14H,3,8-11,13H2,1-2H3
InChIKeySHXCWSYDXRGMOJ-UHFFFAOYSA-N
MW401.90 g/mol
LogP3.69
Rot. Bonds5

About 5-[[4-(6-chloroquinolin-4-yl)-1,4-diazepan-1-yl]methyl]-3-(1-methoxyethyl)-1,2,4-oxadiazole

5-[[4-(6-chloroquinolin-4-yl)-1,4-diazepan-1-yl]methyl]-3-(1-methoxyethyl)-1,2,4-oxadiazole (PubChem CID 133337609) has the molecular formula C20H24ClN5O2 and a molecular weight of 401.90 g/mol. Its IUPAC name is 5-[[4-(6-chloroquinolin-4-yl)-1,4-diazepan-1-yl]methyl]-3-(1-methoxyethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[[4-(6-chloroquinolin-4-yl)-1,4-diazepan-1-yl]methyl]-3-(1-methoxyethyl)-1,2,4-oxadiazole
PubChem CID133337609
Molecular FormulaC20H24ClN5O2
Molecular Weight401.90 g/mol
Exact Mass401.16
IUPAC Name5-[[4-(6-chloroquinolin-4-yl)-1,4-diazepan-1-yl]methyl]-3-(1-methoxyethyl)-1,2,4-oxadiazole
SMILESCOC(C)c1noc(CN2CCCN(c3ccnc4ccc(Cl)cc34)CC2)n1
InChIInChI=1S/C20H24ClN5O2/c1-14(27-2)20-23-19(28-24-20)13-25-8-3-9-26(11-10-25)18-6-7-22-17-5-4-15(21)12-16(17)18/h4-7,12,14H,3,8-11,13H2,1-2H3
InChIKeySHXCWSYDXRGMOJ-UHFFFAOYSA-N
XLogP3.69
TPSA67.52 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.90
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5-[[4-(6-chloroquinolin-4-yl)-1,4-diazepan-1-yl]methyl]-3-(1-methoxyethyl)-1,2,4-oxadiazole with MolForge

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Related Compounds

5-[[4-(7-chloroquinolin-4-yl)piperazin-1-yl]methyl]-3-(1-ethoxyethyl)-1,2,4-oxadiazole
CID 133324977
5-[[4-(1-chloroisoquinolin-3-yl)-1,4-diazepan-1-yl]methyl]-3-(1-methoxyethyl)-1,2,4-oxadiazole
CID 133337585
6-chloro-4-(4-propyl-1,4-diazepan-1-yl)quinoline
CID 133342671
3-(1-methoxyethyl)-5-[[4-(5-nitroquinolin-8-yl)-1,4-diazepan-1-yl]methyl]-1,2,4-oxadiazole
CID 133337603
5-[[4-(6-fluoro-2-pyridinyl)-1,4-diazepan-1-yl]methyl]-3-(1-methoxyethyl)-1,2,4-oxadiazole
CID 133337586
4-(4-benzylpiperazin-1-yl)-6-chloroquinoline
CID 43840532
5-[[4-[2-(difluoromethyl)quinazolin-4-yl]-1,4-diazepan-1-yl]methyl]-3-(1-methoxyethyl)-1,2,4-oxadiazole
CID 133337592
1-[4-[[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-1,4-diazepan-1-yl]-2-methylpropan-2-ol
CID 111824466
4-(azepan-1-yl)-6-chloroquinoline
CID 110434360
3-(1-methoxyethyl)-5-[[4-(3-methyl-5-nitro-2-pyridinyl)-1,4-diazepan-1-yl]methyl]-1,2,4-oxadiazole
CID 133337677
methyl 2-[4-(6-chloroquinolin-4-yl)piperazin-1-yl]acetate
CID 133333942
3-(1-methoxyethyl)-5-[[4-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-1,4-diazepan-1-yl]methyl]-1,2,4-oxadiazole
CID 133337620

Frequently Asked Questions

What is the IUPAC name of 5-[[4-(6-chloroquinolin-4-yl)-1,4-diazepan-1-yl]methyl]-3-(1-methoxyethyl)-1,2,4-oxadiazole?
The IUPAC name of 5-[[4-(6-chloroquinolin-4-yl)-1,4-diazepan-1-yl]methyl]-3-(1-methoxyethyl)-1,2,4-oxadiazole (CID 133337609) is 5-[[4-(6-chloroquinolin-4-yl)-1,4-diazepan-1-yl]methyl]-3-(1-methoxyethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[[4-(6-chloroquinolin-4-yl)-1,4-diazepan-1-yl]methyl]-3-(1-methoxyethyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[[4-(6-chloroquinolin-4-yl)-1,4-diazepan-1-yl]methyl]-3-(1-methoxyethyl)-1,2,4-oxadiazole is COC(C)c1noc(CN2CCCN(c3ccnc4ccc(Cl)cc34)CC2)n1.
What is the InChIKey of 5-[[4-(6-chloroquinolin-4-yl)-1,4-diazepan-1-yl]methyl]-3-(1-methoxyethyl)-1,2,4-oxadiazole?
The InChIKey is SHXCWSYDXRGMOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN5O2/c1-14(27-2)20-23-19(28-24-20)13-25-8-3-9-26(11-10-25)18-6-7-22-17-5-4-15(21)12-16(17)18/h4-7,12,14H,3,8-11,13H2,1-2H3.
What are the key properties of 5-[[4-(6-chloroquinolin-4-yl)-1,4-diazepan-1-yl]methyl]-3-(1-methoxyethyl)-1,2,4-oxadiazole?
5-[[4-(6-chloroquinolin-4-yl)-1,4-diazepan-1-yl]methyl]-3-(1-methoxyethyl)-1,2,4-oxadiazole has a molecular weight of 401.90 g/mol, XLogP of 3.69, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(6-chloroquinolin-4-yl)-1,4-diazepan-1-yl]methyl]-3-(1-methoxyethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 133337609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).