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

C18H19BrN4O — CID 133370263

IUPAC3-[[4-(8-bromoquinolin-2-yl)piperazin-1-yl]methyl]-5-methyl-1,2-oxazole
SMILESCc1cc(CN2CCN(c3ccc4cccc(Br)c4n3)CC2)no1
InChIInChI=1S/C18H19BrN4O/c1-13-11-15(21-24-13)12-22-7-9-23(10-8-22)17-6-5-14-3-2-4-16(19)18(14)20-17/h2-6,11H,7-10,12H2,1H3
InChIKeyRRFMSZAGZKTAMY-UHFFFAOYSA-N
MW387.28 g/mol
LogP3.62
Rot. Bonds3

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

3-[[4-(8-bromoquinolin-2-yl)piperazin-1-yl]methyl]-5-methyl-1,2-oxazole (PubChem CID 133370263) has the molecular formula C18H19BrN4O and a molecular weight of 387.28 g/mol. Its IUPAC name is 3-[[4-(8-bromoquinolin-2-yl)piperazin-1-yl]methyl]-5-methyl-1,2-oxazole.

Molecular Properties

Compound Name3-[[4-(8-bromoquinolin-2-yl)piperazin-1-yl]methyl]-5-methyl-1,2-oxazole
PubChem CID133370263
Molecular FormulaC18H19BrN4O
Molecular Weight387.28 g/mol
Exact Mass386.07
IUPAC Name3-[[4-(8-bromoquinolin-2-yl)piperazin-1-yl]methyl]-5-methyl-1,2-oxazole
SMILESCc1cc(CN2CCN(c3ccc4cccc(Br)c4n3)CC2)no1
InChIInChI=1S/C18H19BrN4O/c1-13-11-15(21-24-13)12-22-7-9-23(10-8-22)17-6-5-14-3-2-4-16(19)18(14)20-17/h2-6,11H,7-10,12H2,1H3
InChIKeyRRFMSZAGZKTAMY-UHFFFAOYSA-N
XLogP3.62
TPSA45.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.28
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(8-bromoquinolin-2-yl)piperazin-1-yl]acetamide
CID 71917685
5-methyl-3-[[4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methyl]-1,2-oxazole
CID 166600931
5-methyl-3-[[4-(1-naphthalen-2-ylethyl)piperazin-1-yl]methyl]-1,2-oxazole
CID 51122237
5-methyl-3-[[4-(2,5,6-trimethylpyrimidin-4-yl)piperazin-1-yl]methyl]-1,2-oxazole
CID 154882517
3-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]-1,2-benzothiazole 1,1-dioxide
CID 75401983
5-[[4-(6-bromo-8-chloroquinolin-2-yl)piperazin-1-yl]methyl]-3-methyl-1,2-oxazole
CID 133436401
4-bromo-2-methyl-5-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]pyridazin-3-one
CID 133303018
3-[[4-(2-ethylsulfonylphenyl)piperazin-1-yl]methyl]-5-methyl-1,2-oxazole
CID 100663408
N-(3-bromophenyl)-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]acetamide
CID 8993927
3-bromo-1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridin-2-one
CID 114760853
3-[[4-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]methyl]-5-methyl-1,2-oxazole
CID 134033856
1-(8-bromoquinolin-2-yl)-3-methylpyrrolidine-3-carboxylic acid
CID 122052480

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(8-bromoquinolin-2-yl)piperazin-1-yl]methyl]-5-methyl-1,2-oxazole?
The IUPAC name of 3-[[4-(8-bromoquinolin-2-yl)piperazin-1-yl]methyl]-5-methyl-1,2-oxazole (CID 133370263) is 3-[[4-(8-bromoquinolin-2-yl)piperazin-1-yl]methyl]-5-methyl-1,2-oxazole.
What is the SMILES notation for 3-[[4-(8-bromoquinolin-2-yl)piperazin-1-yl]methyl]-5-methyl-1,2-oxazole?
The canonical SMILES for 3-[[4-(8-bromoquinolin-2-yl)piperazin-1-yl]methyl]-5-methyl-1,2-oxazole is Cc1cc(CN2CCN(c3ccc4cccc(Br)c4n3)CC2)no1.
What is the InChIKey of 3-[[4-(8-bromoquinolin-2-yl)piperazin-1-yl]methyl]-5-methyl-1,2-oxazole?
The InChIKey is RRFMSZAGZKTAMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN4O/c1-13-11-15(21-24-13)12-22-7-9-23(10-8-22)17-6-5-14-3-2-4-16(19)18(14)20-17/h2-6,11H,7-10,12H2,1H3.
What are the key properties of 3-[[4-(8-bromoquinolin-2-yl)piperazin-1-yl]methyl]-5-methyl-1,2-oxazole?
3-[[4-(8-bromoquinolin-2-yl)piperazin-1-yl]methyl]-5-methyl-1,2-oxazole has a molecular weight of 387.28 g/mol, XLogP of 3.62, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(8-bromoquinolin-2-yl)piperazin-1-yl]methyl]-5-methyl-1,2-oxazole is sourced from PubChem (CID 133370263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).