5-[[4-(6-bromo-8-chloroquinolin-2-yl)piperazin-1-yl]methyl]-3-methyl-1,2-oxazole

C18H18BrClN4O — CID 133436401

IUPAC5-[[4-(6-bromo-8-chloroquinolin-2-yl)piperazin-1-yl]methyl]-3-methyl-1,2-oxazole
SMILESCc1cc(CN2CCN(c3ccc4cc(Br)cc(Cl)c4n3)CC2)on1
InChIInChI=1S/C18H18BrClN4O/c1-12-8-15(25-22-12)11-23-4-6-24(7-5-23)17-3-2-13-9-14(19)10-16(20)18(13)21-17/h2-3,8-10H,4-7,11H2,1H3
InChIKeyHJLXCGKGQJTQKY-UHFFFAOYSA-N
MW421.73 g/mol
LogP4.27
Rot. Bonds3

About 5-[[4-(6-bromo-8-chloroquinolin-2-yl)piperazin-1-yl]methyl]-3-methyl-1,2-oxazole

5-[[4-(6-bromo-8-chloroquinolin-2-yl)piperazin-1-yl]methyl]-3-methyl-1,2-oxazole (PubChem CID 133436401) has the molecular formula C18H18BrClN4O and a molecular weight of 421.73 g/mol. Its IUPAC name is 5-[[4-(6-bromo-8-chloroquinolin-2-yl)piperazin-1-yl]methyl]-3-methyl-1,2-oxazole.

Molecular Properties

Compound Name5-[[4-(6-bromo-8-chloroquinolin-2-yl)piperazin-1-yl]methyl]-3-methyl-1,2-oxazole
PubChem CID133436401
Molecular FormulaC18H18BrClN4O
Molecular Weight421.73 g/mol
Exact Mass420.04
IUPAC Name5-[[4-(6-bromo-8-chloroquinolin-2-yl)piperazin-1-yl]methyl]-3-methyl-1,2-oxazole
SMILESCc1cc(CN2CCN(c3ccc4cc(Br)cc(Cl)c4n3)CC2)on1
InChIInChI=1S/C18H18BrClN4O/c1-12-8-15(25-22-12)11-23-4-6-24(7-5-23)17-3-2-13-9-14(19)10-16(20)18(13)21-17/h2-3,8-10H,4-7,11H2,1H3
InChIKeyHJLXCGKGQJTQKY-UHFFFAOYSA-N
XLogP4.27
TPSA45.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.73
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-[[4-(6-bromo-8-chloroquinolin-2-yl)piperazin-1-yl]methyl]-3-methyl-1,2-oxazole with MolForge

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Related Compounds

6-bromo-8-chloro-2-[4-[(1-methylpyrazol-4-yl)methyl]-1,4-diazepan-1-yl]quinoline
CID 133437230
6-bromo-8-chloro-2-(4-pyrimidin-2-ylpiperazin-1-yl)quinoline
CID 133436211
5-[[4-(4-bromo-2-chlorophenyl)sulfonylpiperazin-1-yl]methyl]-3-methyl-1,2-oxazole
CID 30142320
6-bromo-8-chloro-2-(4-methylsulfonyl-1,4-diazepan-1-yl)quinoline
CID 133436493
1-[4-(6-bromo-8-chloroquinolin-2-yl)-1,4-diazepan-1-yl]propan-1-one
CID 133436745
3-methyl-5-[[4-(5-nitro-6-phenyl-2-pyridinyl)piperazin-1-yl]methyl]-1,2-oxazole
CID 133408182
5-[[4-(2,6-ditert-butylpyrimidin-4-yl)piperazin-1-yl]methyl]-3-methyl-1,2-oxazole
CID 133367815
3-methyl-5-[[4-(2,5,6-trimethylpyrimidin-4-yl)piperazin-1-yl]methyl]-1,2-oxazole
CID 154882516
3-methyl-5-[[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 51075925
5-[[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]methyl]-3-methyl-1,2-oxazole
CID 30142329
(3,4-dichlorophenyl)-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]methanone
CID 51269599
3-methyl-5-(thiomorpholin-4-ylmethyl)-1,2-oxazole
CID 171326405

Frequently Asked Questions

What is the IUPAC name of 5-[[4-(6-bromo-8-chloroquinolin-2-yl)piperazin-1-yl]methyl]-3-methyl-1,2-oxazole?
The IUPAC name of 5-[[4-(6-bromo-8-chloroquinolin-2-yl)piperazin-1-yl]methyl]-3-methyl-1,2-oxazole (CID 133436401) is 5-[[4-(6-bromo-8-chloroquinolin-2-yl)piperazin-1-yl]methyl]-3-methyl-1,2-oxazole.
What is the SMILES notation for 5-[[4-(6-bromo-8-chloroquinolin-2-yl)piperazin-1-yl]methyl]-3-methyl-1,2-oxazole?
The canonical SMILES for 5-[[4-(6-bromo-8-chloroquinolin-2-yl)piperazin-1-yl]methyl]-3-methyl-1,2-oxazole is Cc1cc(CN2CCN(c3ccc4cc(Br)cc(Cl)c4n3)CC2)on1.
What is the InChIKey of 5-[[4-(6-bromo-8-chloroquinolin-2-yl)piperazin-1-yl]methyl]-3-methyl-1,2-oxazole?
The InChIKey is HJLXCGKGQJTQKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrClN4O/c1-12-8-15(25-22-12)11-23-4-6-24(7-5-23)17-3-2-13-9-14(19)10-16(20)18(13)21-17/h2-3,8-10H,4-7,11H2,1H3.
What are the key properties of 5-[[4-(6-bromo-8-chloroquinolin-2-yl)piperazin-1-yl]methyl]-3-methyl-1,2-oxazole?
5-[[4-(6-bromo-8-chloroquinolin-2-yl)piperazin-1-yl]methyl]-3-methyl-1,2-oxazole has a molecular weight of 421.73 g/mol, XLogP of 4.27, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(6-bromo-8-chloroquinolin-2-yl)piperazin-1-yl]methyl]-3-methyl-1,2-oxazole is sourced from PubChem (CID 133436401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).