4-(6-bromoquinolin-4-yl)-1-(1-methylpyrazol-4-yl)piperazin-2-one

C17H16BrN5O — CID 133336896

IUPAC4-(6-bromoquinolin-4-yl)-1-(1-methylpyrazol-4-yl)piperazin-2-one
SMILESCn1cc(N2CCN(c3ccnc4ccc(Br)cc34)CC2=O)cn1
InChIInChI=1S/C17H16BrN5O/c1-21-10-13(9-20-21)23-7-6-22(11-17(23)24)16-4-5-19-15-3-2-12(18)8-14(15)16/h2-5,8-10H,6-7,11H2,1H3
InChIKeySKGVEZLOSDLEIC-UHFFFAOYSA-N
MW386.25 g/mol
LogP2.58
Rot. Bonds2

About 4-(6-bromoquinolin-4-yl)-1-(1-methylpyrazol-4-yl)piperazin-2-one

4-(6-bromoquinolin-4-yl)-1-(1-methylpyrazol-4-yl)piperazin-2-one (PubChem CID 133336896) has the molecular formula C17H16BrN5O and a molecular weight of 386.25 g/mol. Its IUPAC name is 4-(6-bromoquinolin-4-yl)-1-(1-methylpyrazol-4-yl)piperazin-2-one.

Molecular Properties

Compound Name4-(6-bromoquinolin-4-yl)-1-(1-methylpyrazol-4-yl)piperazin-2-one
PubChem CID133336896
Molecular FormulaC17H16BrN5O
Molecular Weight386.25 g/mol
Exact Mass385.05
IUPAC Name4-(6-bromoquinolin-4-yl)-1-(1-methylpyrazol-4-yl)piperazin-2-one
SMILESCn1cc(N2CCN(c3ccnc4ccc(Br)cc34)CC2=O)cn1
InChIInChI=1S/C17H16BrN5O/c1-21-10-13(9-20-21)23-7-6-22(11-17(23)24)16-4-5-19-15-3-2-12(18)8-14(15)16/h2-5,8-10H,6-7,11H2,1H3
InChIKeySKGVEZLOSDLEIC-UHFFFAOYSA-N
XLogP2.58
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.25
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1-methylpyrazol-4-yl)-4-(2-methyl-4-pyridinyl)piperazin-2-one
CID 133490452
1-(1-methylpyrazol-4-yl)-4-(6-methylquinazolin-4-yl)piperazin-2-one
CID 133336905
4-(4,6-dimethylpyrimidin-2-yl)-1-(1-methylpyrazol-4-yl)piperazin-2-one
CID 71976819
4-chloro-2-methyl-5-[4-(1-methylpyrazol-4-yl)-3-oxopiperazin-1-yl]pyridazin-3-one
CID 133336960
4-[(7-bromoquinolin-4-yl)amino]-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one
CID 166361528
4-[4-(1-methylpyrazol-4-yl)-3-oxopiperazin-1-yl]benzonitrile
CID 133336956
1-(1-methylpyrazol-4-yl)-4-(3-methylquinoxalin-2-yl)piperazin-2-one
CID 133336819
5-[4-(1-methylpyrazol-4-yl)-3-oxopiperazin-1-yl]pyrazine-2-carboxylic acid
CID 122054198
1-(6-bromoquinolin-4-yl)-N,N-dimethylpiperidine-4-carboxamide
CID 22031560
4-[4-(1-methylpyrazol-4-yl)-3-oxopiperazin-1-yl]-3-nitrobenzonitrile
CID 71861507
6-bromo-4-[4-[4-[[4-[4-(6-bromoquinolin-4-yl)-1,4-diazepan-1-yl]phenyl]methylsulfonylmethyl]phenyl]-1,4-diazepan-1-yl]quinoline
CID 68815588
1-(1-methylpyrazol-4-yl)-4-(3-propan-2-yloxypyrazin-2-yl)piperazin-2-one
CID 133455216

Frequently Asked Questions

What is the IUPAC name of 4-(6-bromoquinolin-4-yl)-1-(1-methylpyrazol-4-yl)piperazin-2-one?
The IUPAC name of 4-(6-bromoquinolin-4-yl)-1-(1-methylpyrazol-4-yl)piperazin-2-one (CID 133336896) is 4-(6-bromoquinolin-4-yl)-1-(1-methylpyrazol-4-yl)piperazin-2-one.
What is the SMILES notation for 4-(6-bromoquinolin-4-yl)-1-(1-methylpyrazol-4-yl)piperazin-2-one?
The canonical SMILES for 4-(6-bromoquinolin-4-yl)-1-(1-methylpyrazol-4-yl)piperazin-2-one is Cn1cc(N2CCN(c3ccnc4ccc(Br)cc34)CC2=O)cn1.
What is the InChIKey of 4-(6-bromoquinolin-4-yl)-1-(1-methylpyrazol-4-yl)piperazin-2-one?
The InChIKey is SKGVEZLOSDLEIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrN5O/c1-21-10-13(9-20-21)23-7-6-22(11-17(23)24)16-4-5-19-15-3-2-12(18)8-14(15)16/h2-5,8-10H,6-7,11H2,1H3.
What are the key properties of 4-(6-bromoquinolin-4-yl)-1-(1-methylpyrazol-4-yl)piperazin-2-one?
4-(6-bromoquinolin-4-yl)-1-(1-methylpyrazol-4-yl)piperazin-2-one has a molecular weight of 386.25 g/mol, XLogP of 2.58, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-bromoquinolin-4-yl)-1-(1-methylpyrazol-4-yl)piperazin-2-one is sourced from PubChem (CID 133336896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).